methyl 2-[bis(phenylmethyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[bis(phenylmethyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(dibenzylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[bis(phenylmethyl)amino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(dibenzylcarbamothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-(dibenzylthiocarbamoylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C28H26N2O2S2 MolecularWeight: 486.64824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4

InChI

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