methyl 3-[[5-(3-chloranyl-4-methyl-phenyl)furan-2-yl]carbonylcarbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate

Systemtic Name: methyl 3-[[5-(3-chloranyl-4-methyl-phenyl)furan-2-yl]carbonylcarbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate Openeye Name: methyl 3-[[5-(3-chloro-4-methyl-phenyl)furan-2-carbonyl]carbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate CAS Name: 3-[[[[[5-(3-chloro-4-methylphenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-methyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]carbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate Traditional Name: 3-[[5-(3-chloro-4-methyl-phenyl)-2-furoyl]thiocarbamoylamino]-4-(4-methylpiperazino)benzoic acid methyl ester Formula: C26H27ClN4O4S MolecularWeight: 527.03498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=C(C=CC(=C3)C(=O)OC)N4CCN(CC4)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=C(C=CC(=C3)C(=O)OC)N4CCN(CC4)C)Cl

InChI

InChI=1S/C26H27ClN4O4S/c1-16-4-5-17(14-19(16)27)22-8-9-23(35-22)24(32)29-26(36)28-20-15-18(25(33)34-3)6-7-21(20)31-12-10-30(2)11-13-31/h4-9,14-15H,10-13H2,1-3H3,(H2,28,29,32,36)