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

Systemtic Name: N-[4-chloranyl-3-(2-methylpropanoylcarbamothioylamino)phenyl]butanamide Openeye Name: N-[4-chloro-3-(2-methylpropanoylcarbamothioylamino)phenyl]butanamide CAS Name: N-[4-chloro-3-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: N-[4-chloro-3-(2-methylpropanoylcarbamothioylamino)phenyl]butanamide Traditional Name: N-[4-chloro-3-(isobutyrylthiocarbamoylamino)phenyl]butyramide Formula: C15H20ClN3O2S MolecularWeight: 341.8562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20ClN3O2S/c1-4-5-13(20)17-10-6-7-11(16)12(8-10)18-15(22)19-14(21)9(2)3/h6-9H,4-5H2,1-3H3,(H,17,20)(H2,18,19,21,22)