N-[[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]hexanamide

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]hexanamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]hexanamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]hexanamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]hexanamide Formula: C21H23N3OS2 MolecularWeight: 397.55682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C21H23N3OS2/c1-3-4-5-10-19(25)24-21(26)23-17-13-15(12-11-14(17)2)20-22-16-8-6-7-9-18(16)27-20/h6-9,11-13H,3-5,10H2,1-2H3,(H2,23,24,25,26)