[1-(3,4-dimethoxyphenyl)-2-nitro-ethyl] N-(2-ethylphenyl)carbamodithioate

Systemtic Name: [1-(3,4-dimethoxyphenyl)-2-nitro-ethyl] N-(2-ethylphenyl)carbamodithioate Openeye Name: [1-(3,4-dimethoxyphenyl)-2-nitro-ethyl] N-(2-ethylphenyl)carbamodithioate CAS Name: N-(2-ethylphenyl)carbamodithioic acid [1-(3,4-dimethoxyphenyl)-2-nitroethyl] ester IUPAC Name: [1-(3,4-dimethoxyphenyl)-2-nitroethyl] N-(2-ethylphenyl)carbamodithioate Traditional Name: N-(2-ethylphenyl)carbamodithioic acid [1-(3,4-dimethoxyphenyl)-2-nitro-ethyl] ester Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)SC(C[N+](=O)[O-])C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)SC(C[N+](=O)[O-])C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C19H22N2O4S2/c1-4-13-7-5-6-8-15(13)20-19(26)27-18(12-21(22)23)14-9-10-16(24-2)17(11-14)25-3/h5-11,18H,4,12H2,1-3H3,(H,20,26)