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

Systemtic Name: methyl 2-[[4-(3-methoxyphenyl)piperazin-1-yl]carbothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(3-methoxyphenyl)piperazine-1-carbothioyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[4-(3-methoxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(3-methoxyphenyl)piperazine-1-carbothioyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[4-(3-methoxyphenyl)piperazine-1-carbothioyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=S)NC3=C(C4=C(S3)CCC4)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=S)NC3=C(C4=C(S3)CCC4)C(=O)OC

InChI

InChI=1S/C21H25N3O3S2/c1-26-15-6-3-5-14(13-15)23-9-11-24(12-10-23)21(28)22-19-18(20(25)27-2)16-7-4-8-17(16)29-19/h3,5-6,13H,4,7-12H2,1-2H3,(H,22,28)