ethyl 2-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[4-[(4-methyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[4-(4-methylpiperidino)sulfonylphenyl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H31N3O4S3 MolecularWeight: 521.71564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCC(CC4)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCC(CC4)C

InChI

InChI=1S/C24H31N3O4S3/c1-3-31-23(28)21-19-6-4-5-7-20(19)33-22(21)26-24(32)25-17-8-10-18(11-9-17)34(29,30)27-14-12-16(2)13-15-27/h8-11,16H,3-7,12-15H2,1-2H3,(H2,25,26,32)