N-[4-chloranyl-3-(prop-2-enylcarbamothioylamino)phenyl]butanamide

Systemtic Name: N-[4-chloranyl-3-(prop-2-enylcarbamothioylamino)phenyl]butanamide Openeye Name: N-[3-(allylcarbamothioylamino)-4-chloro-phenyl]butanamide CAS Name: N-[4-chloro-3-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: N-[4-chloro-3-(prop-2-enylcarbamothioylamino)phenyl]butanamide Traditional Name: N-[3-(allylthiocarbamoylamino)-4-chloro-phenyl]butyramide Formula: C14H18ClN3OS MolecularWeight: 311.83022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClN3OS/c1-3-5-13(19)17-10-6-7-11(15)12(9-10)18-14(20)16-8-4-2/h4,6-7,9H,2-3,5,8H2,1H3,(H,17,19)(H2,16,18,20)