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

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[4-(phenylmethyl)piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[(4-benzylpiperazine-1-carbothioyl)amino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-benzylpiperazine-1-carbothioyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[(4-benzylpiperazine-1-carbothioyl)amino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C24H32N4O3S2 MolecularWeight: 488.66588

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCN(CC2)CC3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)N2CCN(CC2)CC3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C24H32N4O3S2/c1-5-27(6-2)22(29)20-17(3)19(23(30)31-4)21(33-20)25-24(32)28-14-12-26(13-15-28)16-18-10-8-7-9-11-18/h7-11H,5-6,12-16H2,1-4H3,(H,25,32)