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

Systemtic Name: methyl 4-ethyl-2-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]carbothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-2-[[4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-2-[[[4-[(3-methoxyphenyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-2-[[4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 4-ethyl-2-[(4-m-anisylpiperazine-1-carbothioyl)amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H29N3O3S2 MolecularWeight: 447.61396

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)OC)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)OC)C

InChI

InChI=1S/C22H29N3O3S2/c1-5-18-15(2)30-20(19(18)21(26)28-4)23-22(29)25-11-9-24(10-12-25)14-16-7-6-8-17(13-16)27-3/h6-8,13H,5,9-12,14H2,1-4H3,(H,23,29)