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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(4-phenylpiperazin-1-yl)carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(4-phenylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[(4-phenyl-1-piperazinyl)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(4-phenylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-[(4-phenylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C21H26N4O3S2 MolecularWeight: 446.58614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C3=CC=CC=C3)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C3=CC=CC=C3)C(=O)N(C)C

InChI

InChI=1S/C21H26N4O3S2/c1-14-16(20(27)28-4)18(30-17(14)19(26)23(2)3)22-21(29)25-12-10-24(11-13-25)15-8-6-5-7-9-15/h5-9H,10-13H2,1-4H3,(H,22,29)