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

Systemtic Name: N-[4-chloranyl-3-(ethanoylcarbamothioylamino)phenyl]butanamide Openeye Name: N-[3-(acetylcarbamothioylamino)-4-chloro-phenyl]butanamide CAS Name: N-[3-[[acetamido(sulfanylidene)methyl]amino]-4-chlorophenyl]butanamide IUPAC Name: N-[3-(acetylcarbamothioylamino)-4-chlorophenyl]butanamide Traditional Name: N-[3-(acetylthiocarbamoylamino)-4-chloro-phenyl]butyramide Formula: C13H16ClN3O2S MolecularWeight: 313.80304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN3O2S/c1-3-4-12(19)16-9-5-6-10(14)11(7-9)17-13(20)15-8(2)18/h5-7H,3-4H2,1-2H3,(H,16,19)(H2,15,17,18,20)