4-(1,3-benzodioxol-5-yl)-N-(6-bromanyl-1,3-benzothiazol-2-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-N-(6-bromanyl-1,3-benzothiazol-2-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide CAS Name: 4-(1,3-benzodioxol-5-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide IUPAC Name: 4-(1,3-benzodioxol-5-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Traditional Name: 4-(1,3-benzodioxol-5-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Formula: C25H20BrN3O4S MolecularWeight: 538.413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3)OCO4)C(=O)NC5=NC6=C(S5)C=C(C=C6)Br

Isomeric SMILES

CC1=C(C(C2=C(N1)CCCC2=O)C3=CC4=C(C=C3)OCO4)C(=O)NC5=NC6=C(S5)C=C(C=C6)Br

InChI

InChI=1S/C25H20BrN3O4S/c1-12-21(24(31)29-25-28-15-7-6-14(26)10-20(15)34-25)22(23-16(27-12)3-2-4-17(23)30)13-5-8-18-19(9-13)33-11-32-18/h5-10,22,27H,2-4,11H2,1H3,(H,28,29,31)