N-[3-[3-(4-chloranyl-3-nitro-phenyl)prop-2-enoylcarbamothioylamino]phenyl]pentanamide

Systemtic Name: N-[3-[3-(4-chloranyl-3-nitro-phenyl)prop-2-enoylcarbamothioylamino]phenyl]pentanamide Openeye Name: N-[3-[3-(4-chloro-3-nitro-phenyl)prop-2-enoylcarbamothioylamino]phenyl]pentanamide CAS Name: N-[3-[[[[3-(4-chloro-3-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]pentanamide IUPAC Name: N-[3-[3-(4-chloro-3-nitrophenyl)prop-2-enoylcarbamothioylamino]phenyl]pentanamide Traditional Name: N-[3-[[3-(4-chloro-3-nitro-phenyl)acryloyl]thiocarbamoylamino]phenyl]valeramide Formula: C21H21ClN4O4S MolecularWeight: 460.93384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O4S/c1-2-3-7-19(27)23-15-5-4-6-16(13-15)24-21(31)25-20(28)11-9-14-8-10-17(22)18(12-14)26(29)30/h4-6,8-13H,2-3,7H2,1H3,(H,23,27)(H2,24,25,28,31)