4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-butanamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-butanamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-oxo-butanamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-oxobutanamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-oxobutanamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-keto-butyramide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CCC(=O)N3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)CCC(=O)N3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C22H23N3O2S/c1-14-11-15(2)21-18(12-14)28-22(24-21)23-19(26)7-8-20(27)25-10-9-16-5-3-4-6-17(16)13-25/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,24,26)