N-[4-chloranyl-3-(3-phenylpropanoylcarbamothioylamino)phenyl]butanamide

Systemtic Name: N-[4-chloranyl-3-(3-phenylpropanoylcarbamothioylamino)phenyl]butanamide Openeye Name: N-[4-chloro-3-(3-phenylpropanoylcarbamothioylamino)phenyl]butanamide CAS Name: N-[4-chloro-3-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: N-[4-chloro-3-(3-phenylpropanoylcarbamothioylamino)phenyl]butanamide Traditional Name: N-[4-chloro-3-(hydrocinnamoylthiocarbamoylamino)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)CCC2=CC=CC=C2

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C20H22ClN3O2S/c1-2-6-18(25)22-15-10-11-16(21)17(13-15)23-20(27)24-19(26)12-9-14-7-4-3-5-8-14/h3-5,7-8,10-11,13H,2,6,9,12H2,1H3,(H,22,25)(H2,23,24,26,27)