methyl 2-[(4-nitrophenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-nitrophenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(4-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(4-nitroanilino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(4-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(4-nitrophenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C20H17N3O4S2 MolecularWeight: 427.49668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O4S2/c1-27-19(24)17-12-16(11-13-5-3-2-4-6-13)29-18(17)22-20(28)21-14-7-9-15(10-8-14)23(25)26/h2-10,12H,11H2,1H3,(H2,21,22,28)