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

Systemtic Name: 4-chloranyl-N-[4-(ethanoylcarbamothioylamino)phenyl]butanamide Openeye Name: N-[4-(acetylcarbamothioylamino)phenyl]-4-chloro-butanamide CAS Name: N-[4-[[acetamido(sulfanylidene)methyl]amino]phenyl]-4-chlorobutanamide IUPAC Name: N-[4-(acetylcarbamothioylamino)phenyl]-4-chlorobutanamide Traditional Name: N-[4-(acetylthiocarbamoylamino)phenyl]-4-chloro-butyramide Formula: C13H16ClN3O2S MolecularWeight: 313.80304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN3O2S/c1-9(18)15-13(20)17-11-6-4-10(5-7-11)16-12(19)3-2-8-14/h4-7H,2-3,8H2,1H3,(H,16,19)(H2,15,17,18,20)