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

Systemtic Name: ethyl 5-phenyl-2-[[2-(phenylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-benzylphenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[[2-(phenylmethyl)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-benzylphenyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(2-benzylphenyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H24N2O2S2 MolecularWeight: 472.62166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24N2O2S2/c1-2-31-26(30)22-18-24(20-13-7-4-8-14-20)33-25(22)29-27(32)28-23-16-10-9-15-21(23)17-19-11-5-3-6-12-19/h3-16,18H,2,17H2,1H3,(H2,28,29,32)