ethyl 4-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioylamino]benzoate CAS Name: 4-[[[4-[(4-methyl-1-piperazinyl)sulfonyl]anilino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioylamino]benzoate Traditional Name: 4-[[4-(4-methylpiperazino)sulfonylphenyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C21H26N4O4S2 MolecularWeight: 462.58554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C21H26N4O4S2/c1-3-29-20(26)16-4-6-17(7-5-16)22-21(30)23-18-8-10-19(11-9-18)31(27,28)25-14-12-24(2)13-15-25/h4-11H,3,12-15H2,1-2H3,(H2,22,23,30)