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

Systemtic Name: ethyl 5-(phenylmethyl)-2-[[2-(phenylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(2-benzylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[[2-(phenylmethyl)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(2-benzylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(2-benzylphenyl)thiocarbamoylamino]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)NC3=CC=CC=C3CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=CC=C3CC4=CC=CC=C4

InChI

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