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

Systemtic Name: ethyl 2-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]carbothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(3-methoxyphenyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-m-anisylpiperazine-1-carbothioyl)amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H31N3O3S2 MolecularWeight: 509.68334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCN(CC3)CC4=CC(=CC=C4)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCN(CC3)CC4=CC(=CC=C4)OC

InChI

InChI=1S/C27H31N3O3S2/c1-4-33-26(31)24-23(21-10-6-5-7-11-21)19(2)35-25(24)28-27(34)30-15-13-29(14-16-30)18-20-9-8-12-22(17-20)32-3/h5-12,17H,4,13-16,18H2,1-3H3,(H,28,34)