methyl 2-[[4-(4-ethanoylphenyl)piperazin-1-yl]carbothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-(4-ethanoylphenyl)piperazin-1-yl]carbothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(4-acetylphenyl)piperazine-1-carbothioyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[4-(4-acetylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(4-acetylphenyl)piperazine-1-carbothioyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[4-(4-acetylphenyl)piperazine-1-carbothioyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=C(C4=C(S3)CCC4)C(=O)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=C(C4=C(S3)CCC4)C(=O)OC

InChI

InChI=1S/C22H25N3O3S2/c1-14(26)15-6-8-16(9-7-15)24-10-12-25(13-11-24)22(29)23-20-19(21(27)28-2)17-4-3-5-18(17)30-20/h6-9H,3-5,10-13H2,1-2H3,(H,23,29)