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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-2-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]carbothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-2-[[4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-2-[[[4-[(3-methoxyphenyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-2-[[4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-2-[(4-m-anisylpiperazine-1-carbothioyl)amino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C23H30N4O4S2 MolecularWeight: 490.6387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)OC)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)OC)C(=O)N(C)C

InChI

InChI=1S/C23H30N4O4S2/c1-15-18(22(29)31-5)20(33-19(15)21(28)25(2)3)24-23(32)27-11-9-26(10-12-27)14-16-7-6-8-17(13-16)30-4/h6-8,13H,9-12,14H2,1-5H3,(H,24,32)