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

Systemtic Name: ethyl 4-[[3-(3-methylpiperidin-1-yl)propyl-(thiophen-2-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[3-(3-methyl-1-piperidyl)propyl-(2-thienylmethyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[3-(3-methyl-1-piperidinyl)propyl-(thiophen-2-ylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(3-methylpiperidin-1-yl)propyl-(thiophen-2-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[3-(3-methylpiperidino)propyl-(2-thenyl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C24H33N3O2S2 MolecularWeight: 459.66772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCCN2CCCC(C2)C)CC3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCCN2CCCC(C2)C)CC3=CC=CS3

InChI

InChI=1S/C24H33N3O2S2/c1-3-29-23(28)20-9-11-21(12-10-20)25-24(30)27(18-22-8-5-16-31-22)15-6-14-26-13-4-7-19(2)17-26/h5,8-12,16,19H,3-4,6-7,13-15,17-18H2,1-2H3,(H,25,30)