ethyl 2-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[4-[(3-methyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[4-(3-methylpiperidino)sulfonylphenyl]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C27H31N3O4S3 MolecularWeight: 557.74774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC(C4)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC(C4)C

InChI

InChI=1S/C27H31N3O4S3/c1-3-34-26(31)24-17-22(16-20-9-5-4-6-10-20)36-25(24)29-27(35)28-21-11-13-23(14-12-21)37(32,33)30-15-7-8-19(2)18-30/h4-6,9-14,17,19H,3,7-8,15-16,18H2,1-2H3,(H2,28,29,35)