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

Systemtic Name: methyl 2-[bis(phenylmethyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(dibenzylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[[bis(phenylmethyl)amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-(dibenzylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(dibenzylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C28H26N2O2S2 MolecularWeight: 486.64824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H26N2O2S2/c1-32-27(31)25-18-24(17-21-11-5-2-6-12-21)34-26(25)29-28(33)30(19-22-13-7-3-8-14-22)20-23-15-9-4-10-16-23/h2-16,18H,17,19-20H2,1H3,(H,29,33)