2-(1,3-benzothiazol-2-ylamino)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylamino)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide Openeye Name: 2-(1,3-benzothiazol-2-ylamino)-N-[4-(3-pyridylmethylsulfanyl)phenyl]propanamide CAS Name: 2-(1,3-benzothiazol-2-ylamino)-N-[4-(3-pyridinylmethylthio)phenyl]propanamide IUPAC Name: 2-(1,3-benzothiazol-2-ylamino)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-N-[4-(3-pyridylmethylthio)phenyl]propionamide Formula: C22H20N4OS2 MolecularWeight: 420.5504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)SCC2=CN=CC=C2)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)SCC2=CN=CC=C2)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H20N4OS2/c1-15(24-22-26-19-6-2-3-7-20(19)29-22)21(27)25-17-8-10-18(11-9-17)28-14-16-5-4-12-23-13-16/h2-13,15H,14H2,1H3,(H,24,26)(H,25,27)