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

Systemtic Name: (E)-N-[(2-indol-1-ylethanoylamino)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[[[2-(1-indolyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[[(2-indol-1-ylacetyl)amino]thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C20H17N5O4S MolecularWeight: 423.44508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN2CC(=O)NNC(=S)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CN2CC(=O)NNC(=S)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O4S/c26-18(9-8-14-4-3-6-16(12-14)25(28)29)21-20(30)23-22-19(27)13-24-11-10-15-5-1-2-7-17(15)24/h1-12H,13H2,(H,22,27)(H2,21,23,26,30)/b9-8+