N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(phenylmethylsulfanyl)propanamide Openeye Name: 2-benzylsulfanyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(phenylmethylthio)propanamide IUPAC Name: 2-benzylsulfanyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide Traditional Name: 2-(benzylthio)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propionamide Formula: C24H22N2OS2 MolecularWeight: 418.57428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C(C)SCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C(C)SCC4=CC=CC=C4

InChI

InChI=1S/C24H22N2OS2/c1-16-8-13-21-22(14-16)29-24(26-21)19-9-11-20(12-10-19)25-23(27)17(2)28-15-18-6-4-3-5-7-18/h3-14,17H,15H2,1-2H3,(H,25,27)