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

Systemtic Name: ethyl 2-[(2-nitrophenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(2-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(2-nitroanilino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(2-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(2-nitrophenyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C21H19N3O4S2 MolecularWeight: 441.52326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O4S2/c1-2-28-20(25)16-13-15(12-14-8-4-3-5-9-14)30-19(16)23-21(29)22-17-10-6-7-11-18(17)24(26)27/h3-11,13H,2,12H2,1H3,(H2,22,23,29)