N-(2-phenacylsulfanyl-1,3-benzothiazol-6-yl)butanamide

Systemtic Name: N-(2-phenacylsulfanyl-1,3-benzothiazol-6-yl)butanamide Openeye Name: N-(2-phenacylsulfanyl-1,3-benzothiazol-6-yl)butanamide CAS Name: N-[2-(phenacylthio)-1,3-benzothiazol-6-yl]butanamide IUPAC Name: N-(2-phenacylsulfanyl-1,3-benzothiazol-6-yl)butanamide Traditional Name: N-[2-(phenacylthio)-1,3-benzothiazol-6-yl]butyramide Formula: C19H18N2O2S2 MolecularWeight: 370.48842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H18N2O2S2/c1-2-6-18(23)20-14-9-10-15-17(11-14)25-19(21-15)24-12-16(22)13-7-4-3-5-8-13/h3-5,7-11H,2,6,12H2,1H3,(H,20,23)