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

Systemtic Name: methyl 2-[(4-methoxy-2-nitro-phenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-methoxy-2-nitro-phenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-methoxy-2-nitrophenyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-methoxy-2-nitro-phenyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C20H17N3O5S2 MolecularWeight: 443.49608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O5S2/c1-27-13-8-9-15(16(10-13)23(25)26)21-20(29)22-18-14(19(24)28-2)11-17(30-18)12-6-4-3-5-7-12/h3-11H,1-2H3,(H2,21,22,29)