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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[4-(o-tolylmethyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[[4-[(2-methylphenyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[4-[(2-methylphenyl)methyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-[[4-(2-methylbenzyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C23H30N4O3S2 MolecularWeight: 474.6393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=S)NC3=C(C(=C(S3)C(=O)N(C)C)C)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=S)NC3=C(C(=C(S3)C(=O)N(C)C)C)C(=O)OC

InChI

InChI=1S/C23H30N4O3S2/c1-15-8-6-7-9-17(15)14-26-10-12-27(13-11-26)23(31)24-20-18(22(29)30-5)16(2)19(32-20)21(28)25(3)4/h6-9H,10-14H2,1-5H3,(H,24,31)