N-[2-(3,4-dimethoxyphenyl)ethyl]-6-nitro-2,3-dihydroindole-1-carbothioamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-nitro-2,3-dihydroindole-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-nitro-indoline-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-nitro-2,3-dihydroindole-1-carbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-nitro-2,3-dihydroindole-1-carbothioamide Traditional Name: N-homoveratryl-6-nitro-indoline-1-carbothioamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)N2CCC3=C2C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N2CCC3=C2C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H21N3O4S/c1-25-17-6-3-13(11-18(17)26-2)7-9-20-19(27)21-10-8-14-4-5-15(22(23)24)12-16(14)21/h3-6,11-12H,7-10H2,1-2H3,(H,20,27)