methyl 3-[[4-(3-chlorophenyl)piperazin-1-yl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-(3-chlorophenyl)piperazin-1-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C17H18ClN3O3S MolecularWeight: 379.86112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H18ClN3O3S/c1-24-16(22)15-14(5-10-25-15)19-17(23)21-8-6-20(7-9-21)13-4-2-3-12(18)11-13/h2-5,10-11H,6-9H2,1H3,(H,19,23)