[1-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]benzimidazol-2-yl]methyl N,N-diethylcarbamodithioate

Systemtic Name: [1-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]benzimidazol-2-yl]methyl N,N-diethylcarbamodithioate Openeye Name: [1-[2-(4-nitrophenyl)-2-oxo-ethyl]benzimidazol-2-yl]methyl N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid [1-[2-(4-nitrophenyl)-2-oxoethyl]-2-benzimidazolyl]methyl ester IUPAC Name: [1-[2-(4-nitrophenyl)-2-oxoethyl]benzimidazol-2-yl]methyl N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid [1-[2-keto-2-(4-nitrophenyl)ethyl]benzimidazol-2-yl]methyl ester Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC1=NC2=CC=CC=C2N1CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=S)SCC1=NC2=CC=CC=C2N1CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3S2/c1-3-23(4-2)21(29)30-14-20-22-17-7-5-6-8-18(17)24(20)13-19(26)15-9-11-16(12-10-15)25(27)28/h5-12H,3-4,13-14H2,1-2H3