2-[[4-(phenylmethyl)piperazin-1-yl]carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid

Systemtic Name: 2-[[4-(phenylmethyl)piperazin-1-yl]carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid Openeye Name: 2-[(4-benzylpiperazine-1-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid CAS Name: 2-[[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid IUPAC Name: 2-[(4-benzylpiperazine-1-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid Traditional Name: 2-[(4-benzylpiperazine-1-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)SC(=C2C(=O)O)NC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C1)SC(=C2C(=O)O)NC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C20H23N3O3S/c24-19(25)17-15-7-4-8-16(15)27-18(17)21-20(26)23-11-9-22(10-12-23)13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2,(H,21,26)(H,24,25)