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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[4-(3-pyridylmethylsulfanyl)phenyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[4-(3-pyridinylmethylthio)phenyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[4-(3-pyridylmethylthio)phenyl]propionamide Formula: C22H19N3OS2 MolecularWeight: 405.53576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCC(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCC(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

InChI

InChI=1S/C22H19N3OS2/c26-21(11-12-22-25-19-5-1-2-6-20(19)28-22)24-17-7-9-18(10-8-17)27-15-16-4-3-13-23-14-16/h1-10,13-14H,11-12,15H2,(H,24,26)