N-[4-[[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]pentanamide

Systemtic Name: N-[4-[[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]pentanamide Openeye Name: N-[4-[[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]pentanamide CAS Name: N-[4-[[[[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]pentanamide IUPAC Name: N-[4-[[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]pentanamide Traditional Name: N-[4-[[[(E)-3-(3-nitrophenyl)acryloyl]thiocarbamoylamino]carbamoyl]phenyl]valeramide Formula: C22H23N5O5S MolecularWeight: 469.51352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O5S/c1-2-3-7-19(28)23-17-11-9-16(10-12-17)21(30)25-26-22(33)24-20(29)13-8-15-5-4-6-18(14-15)27(31)32/h4-6,8-14H,2-3,7H2,1H3,(H,23,28)(H,25,30)(H2,24,26,29,33)/b13-8+