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

Systemtic Name: N-[2-chloranyl-4-[2-(2-methylphenoxy)ethanoylcarbamothioylamino]phenyl]butanamide Openeye Name: N-[2-chloro-4-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]phenyl]butanamide CAS Name: N-[2-chloro-4-[[[[2-(2-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: N-[2-chloro-4-[[2-(2-methylphenoxy)acetyl]carbamothioylamino]phenyl]butanamide Traditional Name: N-[2-chloro-4-[[2-(2-methylphenoxy)acetyl]thiocarbamoylamino]phenyl]butyramide Formula: C20H22ClN3O3S MolecularWeight: 419.92498

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)COC2=CC=CC=C2C)Cl

Isomeric SMILES

CCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)COC2=CC=CC=C2C)Cl

InChI

InChI=1S/C20H22ClN3O3S/c1-3-6-18(25)23-16-10-9-14(11-15(16)21)22-20(28)24-19(26)12-27-17-8-5-4-7-13(17)2/h4-5,7-11H,3,6,12H2,1-2H3,(H,23,25)(H2,22,24,26,28)