[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] N-phenylpiperidine-1-carboximidothioate

Systemtic Name: [2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] N-phenylpiperidine-1-carboximidothioate Openeye Name: [2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl] N-phenylpiperidine-1-carboximidothioate CAS Name: N-phenyl-1-piperidinecarboximidothioic acid [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] N-phenylpiperidine-1-carboximidothioate Traditional Name: N-phenylpiperidine-1-carboximidothioic acid [2-keto-2-(2-methoxy-4-nitro-anilino)ethyl] ester Formula: C21H24N4O4S MolecularWeight: 428.50466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC(=NC2=CC=CC=C2)N3CCCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC(=NC2=CC=CC=C2)N3CCCCC3

InChI

InChI=1S/C21H24N4O4S/c1-29-19-14-17(25(27)28)10-11-18(19)23-20(26)15-30-21(24-12-6-3-7-13-24)22-16-8-4-2-5-9-16/h2,4-5,8-11,14H,3,6-7,12-13,15H2,1H3,(H,23,26)