ethyl 2-[(diphenylmethyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(diphenylmethyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(benzhydrylcarbamothioylamino)-5-benzyl-thiophene-3-carboxylate CAS Name: 2-[[[(diphenylmethyl)amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzhydrylcarbamothioylamino)-5-benzylthiophene-3-carboxylate Traditional Name: 2-(benzhydrylthiocarbamoylamino)-5-benzyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H26N2O2S2 MolecularWeight: 486.64824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H26N2O2S2/c1-2-32-27(31)24-19-23(18-20-12-6-3-7-13-20)34-26(24)30-28(33)29-25(21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,19,25H,2,18H2,1H3,(H2,29,30,33)