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

Systemtic Name: methyl 2-[[4-(2-ethoxyphenyl)piperazin-1-yl]carbothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(2-ethoxyphenyl)piperazine-1-carbothioyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(2-ethoxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(2-ethoxyphenyl)piperazine-1-carbothioyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[(4-o-phenetylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=C(C=C(S3)C)C(=O)OC

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=C(C=C(S3)C)C(=O)OC

InChI

InChI=1S/C20H25N3O3S2/c1-4-26-17-8-6-5-7-16(17)22-9-11-23(12-10-22)20(27)21-18-15(19(24)25-3)13-14(2)28-18/h5-8,13H,4,9-12H2,1-3H3,(H,21,27)