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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CC(=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/c1-14(2)12-20(29)23-17-9-7-16(8-10-17)21(30)25-26-22(33)24-19(28)11-6-15-4-3-5-18(13-15)27(31)32/h3-11,13-14H,12H2,1-2H3,(H,23,29)(H,25,30)(H2,24,26,28,33)/b11-6+