N-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]-1,3-benzothiazol-6-yl]-2-methoxy-benzamide

Systemtic Name: N-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]-1,3-benzothiazol-6-yl]-2-methoxy-benzamide Openeye Name: N-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]-1,3-benzothiazol-6-yl]-2-methoxy-benzamide CAS Name: N-[2-[(6,7-dimethoxy-4-quinazolinyl)amino]-1,3-benzothiazol-6-yl]-2-methoxybenzamide IUPAC Name: N-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]-1,3-benzothiazol-6-yl]-2-methoxybenzamide Traditional Name: N-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]-1,3-benzothiazol-6-yl]-2-methoxy-benzamide Formula: C25H21N5O4S MolecularWeight: 487.53034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)NC4=NC=NC5=CC(=C(C=C54)OC)OC

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N=C(S3)NC4=NC=NC5=CC(=C(C=C54)OC)OC

InChI

InChI=1S/C25H21N5O4S/c1-32-19-7-5-4-6-15(19)24(31)28-14-8-9-17-22(10-14)35-25(29-17)30-23-16-11-20(33-2)21(34-3)12-18(16)26-13-27-23/h4-13H,1-3H3,(H,28,31)(H,26,27,29,30)