4-[3-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]-N-methyl-benzamide

Systemtic Name: 4-[3-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]-N-methyl-benzamide Openeye Name: 4-[3-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]-N-methyl-benzamide CAS Name: 4-[[3-(1,3-benzothiazol-2-ylthio)-1-oxopropyl]amino]-N-methylbenzamide IUPAC Name: 4-[3-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]-N-methylbenzamide Traditional Name: 4-[3-(1,3-benzothiazol-2-ylthio)propanoylamino]-N-methyl-benzamide Formula: C18H17N3O2S2 MolecularWeight: 371.47648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H17N3O2S2/c1-19-17(23)12-6-8-13(9-7-12)20-16(22)10-11-24-18-21-14-4-2-3-5-15(14)25-18/h2-9H,10-11H2,1H3,(H,19,23)(H,20,22)