N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-3-nitro-benzamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-3-nitro-benzamide CAS Name: N-[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-3-nitrobenzamide Traditional Name: N-(homoveratrylthiocarbamoyl)-3-nitro-benzamide Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H19N3O5S/c1-25-15-7-6-12(10-16(15)26-2)8-9-19-18(27)20-17(22)13-4-3-5-14(11-13)21(23)24/h3-7,10-11H,8-9H2,1-2H3,(H2,19,20,22,27)