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

Systemtic Name: N-[4-chloranyl-3-[2-(4-methoxyphenyl)ethanoylcarbamothioylamino]phenyl]butanamide Openeye Name: N-[4-chloro-3-[[2-(4-methoxyphenyl)acetyl]carbamothioylamino]phenyl]butanamide CAS Name: N-[4-chloro-3-[[[[2-(4-methoxyphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: N-[4-chloro-3-[[2-(4-methoxyphenyl)acetyl]carbamothioylamino]phenyl]butanamide Traditional Name: N-[4-chloro-3-[[2-(4-methoxyphenyl)acetyl]thiocarbamoylamino]phenyl]butyramide Formula: C20H22ClN3O3S MolecularWeight: 419.92498

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)CC2=CC=C(C=C2)OC

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C20H22ClN3O3S/c1-3-4-18(25)22-14-7-10-16(21)17(12-14)23-20(28)24-19(26)11-13-5-8-15(27-2)9-6-13/h5-10,12H,3-4,11H2,1-2H3,(H,22,25)(H2,23,24,26,28)