methyl 5-(diethylcarbamoyl)-4-methyl-2-[(4-phenylpiperazin-1-yl)carbothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(4-phenylpiperazin-1-yl)carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(4-phenylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[(4-phenyl-1-piperazinyl)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(4-phenylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[(4-phenylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C23H30N4O3S2 MolecularWeight: 474.6393

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCN(CC2)C3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCN(CC2)C3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C23H30N4O3S2/c1-5-25(6-2)21(28)19-16(3)18(22(29)30-4)20(32-19)24-23(31)27-14-12-26(13-15-27)17-10-8-7-9-11-17/h7-11H,5-6,12-15H2,1-4H3,(H,24,31)