3-[[3-[(ethylcarbamothioylhydrazinylidene)methyl]indol-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[3-[(ethylcarbamothioylhydrazinylidene)methyl]indol-1-yl]methyl]benzoic acid Openeye Name: 3-[[3-[(ethylcarbamothioylhydrazono)methyl]indol-1-yl]methyl]benzoic acid CAS Name: 3-[[3-[[[ethylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-1-indolyl]methyl]benzoic acid IUPAC Name: 3-[[3-[(ethylcarbamothioylhydrazinylidene)methyl]indol-1-yl]methyl]benzoic acid Traditional Name: 3-[[3-[(ethylthiocarbamoylhydrazono)methyl]indol-1-yl]methyl]benzoic acid Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NN=CC1=CN(C2=CC=CC=C21)CC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCNC(=S)NN=CC1=CN(C2=CC=CC=C21)CC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C20H20N4O2S/c1-2-21-20(27)23-22-11-16-13-24(18-9-4-3-8-17(16)18)12-14-6-5-7-15(10-14)19(25)26/h3-11,13H,2,12H2,1H3,(H,25,26)(H2,21,23,27)