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

Systemtic Name: ethyl 2-[[4-(2-methoxyphenyl)piperazin-1-yl]carbothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(2-methoxyphenyl)piperazine-1-carbothioyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(2-methoxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2-methoxyphenyl)piperazine-1-carbothioyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[4-(2-methoxyphenyl)piperazine-1-carbothioyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)N2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)N2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C21H27N3O3S2/c1-5-27-20(25)18-14(2)15(3)29-19(18)22-21(28)24-12-10-23(11-13-24)16-8-6-7-9-17(16)26-4/h6-9H,5,10-13H2,1-4H3,(H,22,28)