4-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-methoxyphenyl)butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-methoxyphenyl)butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-methoxyphenyl)butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-(3-methoxyphenyl)butanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-methoxyphenyl)butanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-(3-methoxyphenyl)butyramide Formula: C18H18N2O2S2 MolecularWeight: 358.47772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H18N2O2S2/c1-22-14-7-4-6-13(12-14)19-17(21)10-5-11-23-18-20-15-8-2-3-9-16(15)24-18/h2-4,6-9,12H,5,10-11H2,1H3,(H,19,21)