ethyl 2-[(4-methoxy-2-nitro-phenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-methoxy-2-nitro-phenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(4-methoxy-2-nitro-phenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(4-methoxy-2-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(4-methoxy-2-nitro-phenyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C22H21N3O5S2 MolecularWeight: 471.54924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O5S2/c1-3-30-21(26)17-13-16(11-14-7-5-4-6-8-14)32-20(17)24-22(31)23-18-10-9-15(29-2)12-19(18)25(27)28/h4-10,12-13H,3,11H2,1-2H3,(H2,23,24,31)