ethyl 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]carbothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]carbothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(3,4-dichlorophenyl)piperazine-1-carbothioyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate CAS Name: 2-[[[4-(3,4-dichlorophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(3,4-dichlorophenyl)piperazine-1-carbothioyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Traditional Name: 2-[[4-(3,4-dichlorophenyl)piperazine-1-carbothioyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid ethyl ester Formula: C24H29Cl2N3O2S2 MolecularWeight: 526.54196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)N3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)N3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C24H29Cl2N3O2S2/c1-2-31-23(30)21-17-7-5-3-4-6-8-20(17)33-22(21)27-24(32)29-13-11-28(12-14-29)16-9-10-18(25)19(26)15-16/h9-10,15H,2-8,11-14H2,1H3,(H,27,32)