N-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methyl-phenyl)-4-(4-oxidanylidenequinazolin-3-yl)butanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methyl-phenyl)-4-(4-oxidanylidenequinazolin-3-yl)butanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methyl-phenyl)-4-(4-oxoquinazolin-3-yl)butanamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methylphenyl)-4-(4-oxo-3-quinazolinyl)butanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methylphenyl)-4-(4-oxoquinazolin-3-yl)butanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-(4-ketoquinazolin-3-yl)-N-(2-methoxy-5-methyl-phenyl)butyramide Formula: C27H24N4O3S MolecularWeight: 484.56946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N(C2=NC3=CC=CC=C3S2)C(=O)CCCN4C=NC5=CC=CC=C5C4=O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N(C2=NC3=CC=CC=C3S2)C(=O)CCCN4C=NC5=CC=CC=C5C4=O

InChI

InChI=1S/C27H24N4O3S/c1-18-13-14-23(34-2)22(16-18)31(27-29-21-10-5-6-11-24(21)35-27)25(32)12-7-15-30-17-28-20-9-4-3-8-19(20)26(30)33/h3-6,8-11,13-14,16-17H,7,12,15H2,1-2H3