N-[4-[[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]carbamothioylamino]-2-methoxy-phenyl]pentanamide

Systemtic Name: N-[4-[[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]carbamothioylamino]-2-methoxy-phenyl]pentanamide Openeye Name: N-[4-[[(E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoyl]carbamothioylamino]-2-methoxy-phenyl]pentanamide CAS Name: N-[4-[[[[(E)-3-(4-chloro-3-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-2-methoxyphenyl]pentanamide IUPAC Name: N-[4-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]carbamothioylamino]-2-methoxyphenyl]pentanamide Traditional Name: N-[4-[[(E)-3-(4-chloro-3-nitro-phenyl)acryloyl]thiocarbamoylamino]-2-methoxy-phenyl]valeramide Formula: C22H23ClN4O5S MolecularWeight: 490.95982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN4O5S/c1-3-4-5-20(28)25-17-10-8-15(13-19(17)32-2)24-22(33)26-21(29)11-7-14-6-9-16(23)18(12-14)27(30)31/h6-13H,3-5H2,1-2H3,(H,25,28)(H2,24,26,29,33)/b11-7+