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

Systemtic Name: ethyl 2-[[4-(diphenylmethyl)piperazin-1-yl]carbothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-5-benzyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-5-benzylthiophene-3-carboxylate Traditional Name: 2-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-5-benzyl-thiophene-3-carboxylic acid ethyl ester Formula: C32H33N3O2S2 MolecularWeight: 555.75332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H33N3O2S2/c1-2-37-31(36)28-23-27(22-24-12-6-3-7-13-24)39-30(28)33-32(38)35-20-18-34(19-21-35)29(25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-17,23,29H,2,18-22H2,1H3,(H,33,38)