methyl 2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=C(C=C(S3)CC4=CC=CC=C4)C(=O)OC)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=C(C=C(S3)CC4=CC=CC=C4)C(=O)OC)C

InChI

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