N-[3-[3-(3-nitrophenyl)prop-2-enoylcarbamothioylamino]phenyl]pentanamide

Systemtic Name: N-[3-[3-(3-nitrophenyl)prop-2-enoylcarbamothioylamino]phenyl]pentanamide Openeye Name: N-[3-[3-(3-nitrophenyl)prop-2-enoylcarbamothioylamino]phenyl]pentanamide CAS Name: N-[3-[[[[3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]pentanamide IUPAC Name: N-[3-[3-(3-nitrophenyl)prop-2-enoylcarbamothioylamino]phenyl]pentanamide Traditional Name: N-[3-[[3-(3-nitrophenyl)acryloyl]thiocarbamoylamino]phenyl]valeramide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4S/c1-2-3-10-19(26)22-16-7-5-8-17(14-16)23-21(30)24-20(27)12-11-15-6-4-9-18(13-15)25(28)29/h4-9,11-14H,2-3,10H2,1H3,(H,22,26)(H2,23,24,27,30)