methyl 2-[[4-(2-methylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-(2-methylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[(2-methyl-1-piperidyl)sulfonyl]phenyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[4-[(2-methyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(2-methylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[4-(2-methylpiperidino)sulfonylphenyl]thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C22H27N3O4S3 MolecularWeight: 493.66248

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=C(C4=C(S3)CCC4)C(=O)OC

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=C(C4=C(S3)CCC4)C(=O)OC

InChI

InChI=1S/C22H27N3O4S3/c1-14-6-3-4-13-25(14)32(27,28)16-11-9-15(10-12-16)23-22(30)24-20-19(21(26)29-2)17-7-5-8-18(17)31-20/h9-12,14H,3-8,13H2,1-2H3,(H2,23,24,30)