ethyl 4-[[3-(4-methylpiperazin-1-yl)propyl-(thiophen-2-ylmethyl)carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[3-(4-methylpiperazin-1-yl)propyl-(thiophen-2-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[3-(4-methylpiperazin-1-yl)propyl-(2-thienylmethyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[3-(4-methyl-1-piperazinyl)propyl-(thiophen-2-ylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(4-methylpiperazin-1-yl)propyl-(thiophen-2-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[3-(4-methylpiperazino)propyl-(2-thenyl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C23H32N4O2S2 MolecularWeight: 460.65578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCCN2CCN(CC2)C)CC3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCCN2CCN(CC2)C)CC3=CC=CS3

InChI

InChI=1S/C23H32N4O2S2/c1-3-29-22(28)19-7-9-20(10-8-19)24-23(30)27(18-21-6-4-17-31-21)12-5-11-26-15-13-25(2)14-16-26/h4,6-10,17H,3,5,11-16,18H2,1-2H3,(H,24,30)