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

Systemtic Name: N-[3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]butanamide Openeye Name: N-[3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]butanamide CAS Name: N-[3-[[[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: N-[3-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]butanamide Traditional Name: N-[3-[[(E)-3-(3-nitrophenyl)acryloyl]thiocarbamoylamino]phenyl]butyramide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4S/c1-2-5-18(25)21-15-7-4-8-16(13-15)22-20(29)23-19(26)11-10-14-6-3-9-17(12-14)24(27)28/h3-4,6-13H,2,5H2,1H3,(H,21,25)(H2,22,23,26,29)/b11-10+