methyl 3-[2-(4-phenylpiperazin-1-yl)ethylcarbamoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-(4-phenylpiperazin-1-yl)ethylcarbamoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[2-(4-phenylpiperazin-1-yl)ethylcarbamoylamino]thiophene-2-carboxylate CAS Name: 3-[[oxo-[2-(4-phenyl-1-piperazinyl)ethylamino]methyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-(4-phenylpiperazin-1-yl)ethylcarbamoylamino]thiophene-2-carboxylate Traditional Name: 3-[2-(4-phenylpiperazino)ethylcarbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)NCCN2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)NCCN2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C19H24N4O3S/c1-26-18(24)17-16(7-14-27-17)21-19(25)20-8-9-22-10-12-23(13-11-22)15-5-3-2-4-6-15/h2-7,14H,8-13H2,1H3,(H2,20,21,25)