N-cyclopropyl-7-(6,7-dimethoxycinnolin-4-yl)-3a,4-dihydro-1,2-benzothiazole-3-carboxamide

Systemtic Name: N-cyclopropyl-7-(6,7-dimethoxycinnolin-4-yl)-3a,4-dihydro-1,2-benzothiazole-3-carboxamide Openeye Name: N-cyclopropyl-7-(6,7-dimethoxycinnolin-4-yl)-3a,4-dihydro-1,2-benzothiazole-3-carboxamide CAS Name: N-cyclopropyl-7-(6,7-dimethoxy-4-cinnolinyl)-3a,4-dihydro-1,2-benzothiazole-3-carboxamide IUPAC Name: N-cyclopropyl-7-(6,7-dimethoxycinnolin-4-yl)-3a,4-dihydro-1,2-benzothiazole-3-carboxamide Traditional Name: N-cyclopropyl-7-(6,7-dimethoxycinnolin-4-yl)-3a,4-dihydro-1,2-benzothiazole-3-carboxamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=CN=N2)C3=C4C(CC=C3)C(=NS4)C(=O)NC5CC5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=CN=N2)C3=C4C(CC=C3)C(=NS4)C(=O)NC5CC5)OC

InChI

InChI=1S/C21H20N4O3S/c1-27-17-8-14-15(10-22-24-16(14)9-18(17)28-2)12-4-3-5-13-19(25-29-20(12)13)21(26)23-11-6-7-11/h3-4,8-11,13H,5-7H2,1-2H3,(H,23,26)