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

Systemtic Name: methyl 2-[bis(phenylmethyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(dibenzylcarbamothioylamino)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[bis(phenylmethyl)amino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(dibenzylcarbamothioylamino)-5-methylthiophene-3-carboxylate Traditional Name: 2-(dibenzylthiocarbamoylamino)-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H22N2O2S2 MolecularWeight: 410.55228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O2S2/c1-16-13-19(21(25)26-2)20(28-16)23-22(27)24(14-17-9-5-3-6-10-17)15-18-11-7-4-8-12-18/h3-13H,14-15H2,1-2H3,(H,23,27)