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

Systemtic Name: ethyl 2-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]carbothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C26H29N3O3S2 MolecularWeight: 495.65676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O3S2/c1-3-32-25(30)22-17-23(20-9-5-4-6-10-20)34-24(22)27-26(33)29-14-12-28(13-15-29)18-19-8-7-11-21(16-19)31-2/h4-11,16-17H,3,12-15,18H2,1-2H3,(H,27,33)