N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]butanamide

Systemtic Name: N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]butanamide Openeye Name: N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]butanamide CAS Name: N-[[2-chloro-5-(1-oxopropylamino)anilino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]butanamide Traditional Name: N-[(2-chloro-5-propionamido-phenyl)thiocarbamoyl]butyramide Formula: C14H18ClN3O2S MolecularWeight: 327.82962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClN3O2S/c1-3-5-13(20)18-14(21)17-11-8-9(6-7-10(11)15)16-12(19)4-2/h6-8H,3-5H2,1-2H3,(H,16,19)(H2,17,18,20,21)