2-acetamido-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide

Systemtic Name: 2-acetamido-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide Openeye Name: 2-acetamido-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide CAS Name: 2-acetamido-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide IUPAC Name: 2-acetamido-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propanamide Traditional Name: 2-acetamido-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(1H-indol-3-yl)propionamide Formula: C22H22N4O2S MolecularWeight: 406.50068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C)C

InChI

InChI=1S/C22H22N4O2S/c1-12-8-13(2)20-19(9-12)29-22(25-20)26-21(28)18(24-14(3)27)10-15-11-23-17-7-5-4-6-16(15)17/h4-9,11,18,23H,10H2,1-3H3,(H,24,27)(H,25,26,28)