methyl 3-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]-4-methyl-benzoate Openeye Name: methyl 3-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]-4-methyl-benzoate CAS Name: 3-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[(2-methoxy-4-nitrophenyl)carbamothioylamino]-4-methylbenzoate Traditional Name: 3-[(2-methoxy-4-nitro-phenyl)thiocarbamoylamino]-4-methyl-benzoic acid methyl ester Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C17H17N3O5S/c1-10-4-5-11(16(21)25-3)8-14(10)19-17(26)18-13-7-6-12(20(22)23)9-15(13)24-2/h4-9H,1-3H3,(H2,18,19,26)