N-[4-chloranyl-3-[2-(2-methylphenyl)ethanoylcarbamothioylamino]phenyl]butanamide

Systemtic Name: N-[4-chloranyl-3-[2-(2-methylphenyl)ethanoylcarbamothioylamino]phenyl]butanamide Openeye Name: N-[4-chloro-3-[[2-(o-tolyl)acetyl]carbamothioylamino]phenyl]butanamide CAS Name: N-[4-chloro-3-[[[[2-(2-methylphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: N-[4-chloro-3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]phenyl]butanamide Traditional Name: N-[4-chloro-3-[[2-(o-tolyl)acetyl]thiocarbamoylamino]phenyl]butyramide Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)CC2=CC=CC=C2C

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)CC2=CC=CC=C2C

InChI

InChI=1S/C20H22ClN3O2S/c1-3-6-18(25)22-15-9-10-16(21)17(12-15)23-20(27)24-19(26)11-14-8-5-4-7-13(14)2/h4-5,7-10,12H,3,6,11H2,1-2H3,(H,22,25)(H2,23,24,26,27)