(2,3-dimethylquinoxalin-6-yl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone

Systemtic Name: (2,3-dimethylquinoxalin-6-yl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Openeye Name: (2,3-dimethylquinoxalin-6-yl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone CAS Name: (2,3-dimethyl-6-quinoxalinyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone IUPAC Name: (2,3-dimethylquinoxalin-6-yl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Traditional Name: (2,3-dimethylquinoxalin-6-yl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC4=C(C=C3)N=C(C(=N4)C)C

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC4=C(C=C3)N=C(C(=N4)C)C

InChI

InChI=1S/C21H21N3OS/c1-13-10-11-24(19-6-4-5-7-20(19)26-13)21(25)16-8-9-17-18(12-16)23-15(3)14(2)22-17/h4-9,12-13H,10-11H2,1-3H3