N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(1,3-dithiolan-2-yl)benzamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(1,3-dithiolan-2-yl)benzamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(1,3-dithiolan-2-yl)benzamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(1,3-dithiolan-2-yl)benzamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(1,3-dithiolan-2-yl)benzamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(1,3-dithiolan-2-yl)benzamide Formula: C19H18N2OS3 MolecularWeight: 386.55402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC=C(C=C3)C4SCCS4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC=C(C=C3)C4SCCS4)C

InChI

InChI=1S/C19H18N2OS3/c1-11-9-12(2)16-15(10-11)25-19(20-16)21-17(22)13-3-5-14(6-4-13)18-23-7-8-24-18/h3-6,9-10,18H,7-8H2,1-2H3,(H,20,21,22)