7-[2-(3-methylquinoxalin-2-yl)sulfanylethanoyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

Systemtic Name: 7-[2-(3-methylquinoxalin-2-yl)sulfanylethanoyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 7-[2-(3-methylquinoxalin-2-yl)sulfanylacetyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 7-[2-[(3-methyl-2-quinoxalinyl)thio]-1-oxoethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 7-[2-(3-methylquinoxalin-2-yl)sulfanylacetyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 7-[2-[(3-methylquinoxalin-2-yl)thio]acetyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1SCC(=O)C3=CC4=C(C=C3)NC(=O)CCC4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1SCC(=O)C3=CC4=C(C=C3)NC(=O)CCC4

InChI

InChI=1S/C21H19N3O2S/c1-13-21(24-18-7-3-2-6-17(18)22-13)27-12-19(25)15-9-10-16-14(11-15)5-4-8-20(26)23-16/h2-3,6-7,9-11H,4-5,8,12H2,1H3,(H,23,26)