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

Systemtic Name: methyl 2-[[4-(3-methoxyphenyl)piperazin-1-yl]carbothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(3-methoxyphenyl)piperazine-1-carbothioyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(3-methoxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(3-methoxyphenyl)piperazine-1-carbothioyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[4-(3-methoxyphenyl)piperazine-1-carbothioyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C19H23N3O3S2 MolecularWeight: 405.53422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)OC)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)OC)C(=O)OC

InChI

InChI=1S/C19H23N3O3S2/c1-13-11-16(18(23)25-3)17(27-13)20-19(26)22-9-7-21(8-10-22)14-5-4-6-15(12-14)24-2/h4-6,11-12H,7-10H2,1-3H3,(H,20,26)