(E)-3-(4-ethoxyphenyl)-N-[(2-indol-1-ylethanoylamino)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-ethoxyphenyl)-N-[(2-indol-1-ylethanoylamino)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-ethoxyphenyl)-N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-ethoxyphenyl)-N-[[[2-(1-indolyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-ethoxyphenyl)-N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]prop-2-enamide Traditional Name: (E)-N-[[(2-indol-1-ylacetyl)amino]thiocarbamoyl]-3-p-phenetyl-acrylamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC(=S)NNC(=O)CN2C=CC3=CC=CC=C32

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NNC(=O)CN2C=CC3=CC=CC=C32

InChI

InChI=1S/C22H22N4O3S/c1-2-29-18-10-7-16(8-11-18)9-12-20(27)23-22(30)25-24-21(28)15-26-14-13-17-5-3-4-6-19(17)26/h3-14H,2,15H2,1H3,(H,24,28)(H2,23,25,27,30)/b12-9+