4-chloranyl-N-[4-(propanoylcarbamothioylamino)phenyl]butanamide

Systemtic Name: 4-chloranyl-N-[4-(propanoylcarbamothioylamino)phenyl]butanamide Openeye Name: 4-chloro-N-[4-(propanoylcarbamothioylamino)phenyl]butanamide CAS Name: 4-chloro-N-[4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: 4-chloro-N-[4-(propanoylcarbamothioylamino)phenyl]butanamide Traditional Name: 4-chloro-N-[4-(propionylthiocarbamoylamino)phenyl]butyramide Formula: C14H18ClN3O2S MolecularWeight: 327.82962

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)CCCCl

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)CCCCl

InChI

InChI=1S/C14H18ClN3O2S/c1-2-12(19)18-14(21)17-11-7-5-10(6-8-11)16-13(20)4-3-9-15/h5-8H,2-4,9H2,1H3,(H,16,20)(H2,17,18,19,21)