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

Systemtic Name: methyl 5-methyl-2-[[(3R)-3-methyl-4-(4-methylphenyl)piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[(3R)-3-methyl-4-(p-tolyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[(3R)-3-methyl-4-(4-methylphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[(3R)-3-methyl-4-(4-methylphenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[(3R)-3-methyl-4-(p-tolyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C20H25N3O2S2 MolecularWeight: 403.5614

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)C)C(=S)NC3=C(C=C(S3)C)C(=O)OC

Isomeric SMILES

C[C@@H]1CN(CCN1C2=CC=C(C=C2)C)C(=S)NC3=C(C=C(S3)C)C(=O)OC

InChI

InChI=1S/C20H25N3O2S2/c1-13-5-7-16(8-6-13)23-10-9-22(12-14(23)2)20(26)21-18-17(19(24)25-4)11-15(3)27-18/h5-8,11,14H,9-10,12H2,1-4H3,(H,21,26)/t14-/m1/s1