methyl 2-[(diphenylmethyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(diphenylmethyl)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-(benzhydrylcarbamothioylamino)-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[(diphenylmethyl)amino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(benzhydrylcarbamothioylamino)-5-ethylthiophene-3-carboxylate Traditional Name: 2-(benzhydrylthiocarbamoylamino)-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C22H22N2O2S2 MolecularWeight: 410.55228

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H22N2O2S2/c1-3-17-14-18(21(25)26-2)20(28-17)24-22(27)23-19(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,19H,3H2,1-2H3,(H2,23,24,27)