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

Systemtic Name: 3-chloranyl-N-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]-1,3-benzothiazol-6-yl]benzamide Openeye Name: 3-chloro-N-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]-1,3-benzothiazol-6-yl]benzamide CAS Name: 3-chloro-N-[2-[(6,7-dimethoxy-4-quinazolinyl)amino]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3-chloro-N-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]-1,3-benzothiazol-6-yl]benzamide Traditional Name: 3-chloro-N-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]-1,3-benzothiazol-6-yl]benzamide Formula: C24H18ClN5O3S MolecularWeight: 491.94942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=NC4=C(S3)C=C(C=C4)NC(=O)C5=CC(=CC=C5)Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=NC4=C(S3)C=C(C=C4)NC(=O)C5=CC(=CC=C5)Cl)OC

InChI

InChI=1S/C24H18ClN5O3S/c1-32-19-10-16-18(11-20(19)33-2)26-12-27-22(16)30-24-29-17-7-6-15(9-21(17)34-24)28-23(31)13-4-3-5-14(25)8-13/h3-12H,1-2H3,(H,28,31)(H,26,27,29,30)