3-azanyl-N-(6-bromanyl-1,3-benzothiazol-2-yl)-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

Systemtic Name: 3-azanyl-N-(6-bromanyl-1,3-benzothiazol-2-yl)-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide Openeye Name: 3-amino-N-(6-bromo-1,3-benzothiazol-2-yl)-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide CAS Name: 3-amino-N-(6-bromo-1,3-benzothiazol-2-yl)-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide IUPAC Name: 3-amino-N-(6-bromo-1,3-benzothiazol-2-yl)-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide Traditional Name: 3-amino-N-(6-bromo-1,3-benzothiazol-2-yl)-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide Formula: C20H17BrN4OS2 MolecularWeight: 473.40918

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C3C(=C(SC3=N2)C(=O)NC4=NC5=C(S4)C=C(C=C5)Br)N

Isomeric SMILES

CC1CCC2=C(C1)C=C3C(=C(SC3=N2)C(=O)NC4=NC5=C(S4)C=C(C=C5)Br)N

InChI

InChI=1S/C20H17BrN4OS2/c1-9-2-4-13-10(6-9)7-12-16(22)17(28-19(12)23-13)18(26)25-20-24-14-5-3-11(21)8-15(14)27-20/h3,5,7-9H,2,4,6,22H2,1H3,(H,24,25,26)