S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 1H-indole-3-carbothioate

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 1H-indole-3-carbothioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] 1H-indole-3-carbothioate CAS Name: 1H-indole-3-carbothioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] 1H-indole-3-carbothioate Traditional Name: 1H-indole-3-carbothioic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C20H26N2O2S MolecularWeight: 358.49764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(=O)C1=CNC2=CC=CC=C21

Isomeric SMILES

CCCCCCCCNC(=O)/C=C/SC(=O)C1=CNC2=CC=CC=C21

InChI

InChI=1S/C20H26N2O2S/c1-2-3-4-5-6-9-13-21-19(23)12-14-25-20(24)17-15-22-18-11-8-7-10-16(17)18/h7-8,10-12,14-15,22H,2-6,9,13H2,1H3,(H,21,23)/b14-12+