[2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] N,N-diethylcarbamodithioate

Systemtic Name: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] N,N-diethylcarbamodithioate Openeye Name: [2-(4-chloro-3-nitro-anilino)-2-oxo-1-phenyl-ethyl] N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl] N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [2-(4-chloro-3-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C19H20ClN3O3S2 MolecularWeight: 437.9634

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SC(C1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=S)SC(C1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H20ClN3O3S2/c1-3-22(4-2)19(27)28-17(13-8-6-5-7-9-13)18(24)21-14-10-11-15(20)16(12-14)23(25)26/h5-12,17H,3-4H2,1-2H3,(H,21,24)