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

Systemtic Name: methyl 2-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]carbothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(3-methoxyphenyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-m-anisylpiperazine-1-carbothioyl)amino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C25H27N3O3S2 MolecularWeight: 481.63018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCN(CC2)C(=S)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCN(CC2)C(=S)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C25H27N3O3S2/c1-30-20-10-6-7-18(15-20)17-27-11-13-28(14-12-27)25(32)26-23-21(24(29)31-2)16-22(33-23)19-8-4-3-5-9-19/h3-10,15-16H,11-14,17H2,1-2H3,(H,26,32)