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

Systemtic Name: methyl 2-[[4-(phenylmethyl)piperazin-1-yl]carbothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(4-benzylpiperazine-1-carbothioyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-benzylpiperazine-1-carbothioyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(4-benzylpiperazine-1-carbothioyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C21H25N3O2S2 MolecularWeight: 415.5721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=S)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=S)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H25N3O2S2/c1-26-20(25)18-16-8-5-9-17(16)28-19(18)22-21(27)24-12-10-23(11-13-24)14-15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3,(H,22,27)