3-[2-[[2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]carbamoyl]phenyl]carbamothioyl]phenyl]propyl methanesulfonate

Systemtic Name: 3-[2-[[2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxidanylidene-hexoxy]phenyl]carbamoyl]phenyl]carbamothioyl]phenyl]propyl methanesulfonate Openeye Name: 3-[2-[[2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxo-hexoxy]phenyl]carbamoyl]phenyl]carbamothioyl]phenyl]propyl methanesulfonate CAS Name: methanesulfonic acid 3-[2-[[4-[[N,4-dimethyl-2-[6-(4-methyl-1-piperazinyl)-6-oxohexoxy]anilino]-oxomethyl]-2-methoxyanilino]-sulfanylidenemethyl]phenyl]propyl ester IUPAC Name: 3-[2-[[2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]carbamoyl]phenyl]carbamothioyl]phenyl]propyl methanesulfonate Traditional Name: methanesulfonic acid 3-[2-[[4-[[2-[6-keto-6-(4-methylpiperazino)hexoxy]-4-methyl-phenyl]-methyl-carbamoyl]-2-methoxy-phenyl]thiocarbamoyl]phenyl]propyl ester Formula: C38H50N4O7S2 MolecularWeight: 738.9562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)NC(=S)C3=CC=CC=C3CCCOS(=O)(=O)C)OC)OCCCCCC(=O)N4CCN(CC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N(C)C(=O)C2=CC(=C(C=C2)NC(=S)C3=CC=CC=C3CCCOS(=O)(=O)C)OC)OCCCCCC(=O)N4CCN(CC4)C

InChI

InChI=1S/C38H50N4O7S2/c1-28-16-19-33(35(26-28)48-24-10-6-7-15-36(43)42-22-20-40(2)21-23-42)41(3)38(44)30-17-18-32(34(27-30)47-4)39-37(50)31-14-9-8-12-29(31)13-11-25-49-51(5,45)46/h8-9,12,14,16-19,26-27H,6-7,10-11,13,15,20-25H2,1-5H3,(H,39,50)