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

Systemtic Name: methyl 2-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[4-[(3-methyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[4-(3-methylpiperidino)sulfonylphenyl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C23H29N3O4S3 MolecularWeight: 507.68906

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=C(C4=C(S3)CCCC4)C(=O)OC

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=C(C4=C(S3)CCCC4)C(=O)OC

InChI

InChI=1S/C23H29N3O4S3/c1-15-6-5-13-26(14-15)33(28,29)17-11-9-16(10-12-17)24-23(31)25-21-20(22(27)30-2)18-7-3-4-8-19(18)32-21/h9-12,15H,3-8,13-14H2,1-2H3,(H2,24,25,31)