methyl 2-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(4-sec-butylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[[4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(4-butan-2-ylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[4-(4-sec-butylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C26H35N3O4S3 MolecularWeight: 549.7688

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C4=C(S3)CCCCC4)C(=O)OC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C4=C(S3)CCCCC4)C(=O)OC

InChI

InChI=1S/C26H35N3O4S3/c1-4-18(2)19-10-12-20(13-11-19)36(31,32)29-16-14-28(15-17-29)26(34)27-24-23(25(30)33-3)21-8-6-5-7-9-22(21)35-24/h10-13,18H,4-9,14-17H2,1-3H3,(H,27,34)