N-(6-butyl-1,3-benzothiazol-2-yl)-3-(3-oxidanylidene-4H-quinoxalin-2-yl)propanamide

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-(3-oxidanylidene-4H-quinoxalin-2-yl)propanamide Openeye Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide CAS Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide IUPAC Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide Traditional Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-(3-keto-4H-quinoxalin-2-yl)propionamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC3=NC4=CC=CC=C4NC3=O

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC3=NC4=CC=CC=C4NC3=O

InChI

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