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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN4O4S/c1-12(2)19(27)22-14-4-3-5-15(11-14)23-20(30)24-18(26)9-7-13-6-8-16(21)17(10-13)25(28)29/h3-12H,1-2H3,(H,22,27)(H2,23,24,26,30)/b9-7+