[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone

Systemtic Name: [2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone Openeye Name: [2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone CAS Name: [2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-(2,3-dimethyl-6-quinoxalinyl)methanone IUPAC Name: [2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone Traditional Name: [2-(1,3-benzothiazol-2-yl)pyrrolidino]-(2,3-dimethylquinoxalin-6-yl)methanone Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)N3CCCC3C4=NC5=CC=CC=C5S4)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)N3CCCC3C4=NC5=CC=CC=C5S4)N=C1C

InChI

InChI=1S/C22H20N4OS/c1-13-14(2)24-18-12-15(9-10-16(18)23-13)22(27)26-11-5-7-19(26)21-25-17-6-3-4-8-20(17)28-21/h3-4,6,8-10,12,19H,5,7,11H2,1-2H3