N-[4-chloranyl-3-(2-naphthalen-1-ylethanoylcarbamothioylamino)phenyl]butanamide

Systemtic Name: N-[4-chloranyl-3-(2-naphthalen-1-ylethanoylcarbamothioylamino)phenyl]butanamide Openeye Name: N-[4-chloro-3-[[2-(1-naphthyl)acetyl]carbamothioylamino]phenyl]butanamide CAS Name: N-[4-chloro-3-[[[[2-(1-naphthalenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: N-[4-chloro-3-[(2-naphthalen-1-ylacetyl)carbamothioylamino]phenyl]butanamide Traditional Name: N-[4-chloro-3-[[2-(1-naphthyl)acetyl]thiocarbamoylamino]phenyl]butyramide Formula: C23H22ClN3O2S MolecularWeight: 439.95768

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C23H22ClN3O2S/c1-2-6-21(28)25-17-11-12-19(24)20(14-17)26-23(30)27-22(29)13-16-9-5-8-15-7-3-4-10-18(15)16/h3-5,7-12,14H,2,6,13H2,1H3,(H,25,28)(H2,26,27,29,30)