N-(1,3-benzothiazol-2-ylmethyl)-3-(3,4-dimethylphenyl)sulfanyl-propanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(3,4-dimethylphenyl)sulfanyl-propanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(3,4-dimethylphenyl)sulfanyl-propanamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-3-[(3,4-dimethylphenyl)thio]propanamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-3-[(3,4-dimethylphenyl)thio]propionamide Formula: C19H20N2OS2 MolecularWeight: 356.5049

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NCC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NCC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C19H20N2OS2/c1-13-7-8-15(11-14(13)2)23-10-9-18(22)20-12-19-21-16-5-3-4-6-17(16)24-19/h3-8,11H,9-10,12H2,1-2H3,(H,20,22)