N-(2-chlorophenyl)-4-[2-[(2-methoxy-4-nitro-phenyl)carbamothioyl]hydrazinyl]-4-oxidanylidene-butanamide

Systemtic Name: N-(2-chlorophenyl)-4-[2-[(2-methoxy-4-nitro-phenyl)carbamothioyl]hydrazinyl]-4-oxidanylidene-butanamide Openeye Name: N-(2-chlorophenyl)-4-[2-[(2-methoxy-4-nitro-phenyl)carbamothioyl]hydrazino]-4-oxo-butanamide CAS Name: N-(2-chlorophenyl)-4-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]hydrazo]-4-oxobutanamide IUPAC Name: N-(2-chlorophenyl)-4-[2-[(2-methoxy-4-nitrophenyl)carbamothioyl]hydrazinyl]-4-oxobutanamide Traditional Name: N-(2-chlorophenyl)-4-keto-4-[N'-[(2-methoxy-4-nitro-phenyl)thiocarbamoyl]hydrazino]butyramide Formula: C18H18ClN5O5S MolecularWeight: 451.88402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NNC(=O)CCC(=O)NC2=CC=CC=C2Cl

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NNC(=O)CCC(=O)NC2=CC=CC=C2Cl

InChI

InChI=1S/C18H18ClN5O5S/c1-29-15-10-11(24(27)28)6-7-14(15)21-18(30)23-22-17(26)9-8-16(25)20-13-5-3-2-4-12(13)19/h2-7,10H,8-9H2,1H3,(H,20,25)(H,22,26)(H2,21,23,30)