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

Systemtic Name: ethyl 2-[bis(phenylmethyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(dibenzylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[[bis(phenylmethyl)amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(dibenzylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(dibenzylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C29H28N2O2S2 MolecularWeight: 500.67482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C29H28N2O2S2/c1-2-33-28(32)26-19-25(18-22-12-6-3-7-13-22)35-27(26)30-29(34)31(20-23-14-8-4-9-15-23)21-24-16-10-5-11-17-24/h3-17,19H,2,18,20-21H2,1H3,(H,30,34)