N-(6-chloranyl-1,3-benzothiazol-2-yl)-4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-4-(8-methyl-4-oxo-quinazolin-3-yl)butanamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-4-(8-methyl-4-oxo-3-quinazolinyl)butanamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-keto-8-methyl-quinazolin-3-yl)butyramide Formula: C20H17ClN4O2S MolecularWeight: 412.89258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C20H17ClN4O2S/c1-12-4-2-5-14-18(12)22-11-25(19(14)27)9-3-6-17(26)24-20-23-15-8-7-13(21)10-16(15)28-20/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,23,24,26)