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

Systemtic Name: N-[4-chloranyl-3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]butanamide Openeye Name: N-[4-chloro-3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]butanamide CAS Name: N-[4-chloro-3-[[[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: N-[4-chloro-3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]butanamide Traditional Name: N-[4-chloro-3-[[(E)-3-(4-nitrophenyl)acryloyl]thiocarbamoylamino]phenyl]butyramide Formula: C20H19ClN4O4S MolecularWeight: 446.90726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O4S/c1-2-3-18(26)22-14-7-10-16(21)17(12-14)23-20(30)24-19(27)11-6-13-4-8-15(9-5-13)25(28)29/h4-12H,2-3H2,1H3,(H,22,26)(H2,23,24,27,30)/b11-6+