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

Systemtic Name: (E)-3-(2-chlorophenyl)-N-[(2-indol-1-ylethanoylamino)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(2-chlorophenyl)-N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(2-chlorophenyl)-N-[[[2-(1-indolyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(2-chlorophenyl)-N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(2-chlorophenyl)-N-[[(2-indol-1-ylacetyl)amino]thiocarbamoyl]acrylamide Formula: C20H17ClN4O2S MolecularWeight: 412.89258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN2CC(=O)NNC(=S)NC(=O)C=CC3=CC=CC=C3Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CN2CC(=O)NNC(=S)NC(=O)/C=C/C3=CC=CC=C3Cl

InChI

InChI=1S/C20H17ClN4O2S/c21-16-7-3-1-5-14(16)9-10-18(26)22-20(28)24-23-19(27)13-25-12-11-15-6-2-4-8-17(15)25/h1-12H,13H2,(H,23,27)(H2,22,24,26,28)/b10-9+