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

Systemtic Name: ethyl 5-(phenylmethyl)-2-[(phenylmethyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(benzylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(benzylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(benzylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C22H22N2O2S2 MolecularWeight: 410.55228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCC3=CC=CC=C3

InChI

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