4-(1,3-benzothiazol-2-yl)-N-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-ethyl-butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-ethyl-butanamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-N-ethyl-butanamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-N-ethylbutanamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-N-ethylbutanamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]-N-ethyl-butyramide Formula: C22H21ClN4O2S MolecularWeight: 440.94574

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H21ClN4O2S/c1-2-27(13-19-24-17-12-14(23)10-11-15(17)22(29)26-19)21(28)9-5-8-20-25-16-6-3-4-7-18(16)30-20/h3-4,6-7,10-12H,2,5,8-9,13H2,1H3,(H,24,26,29)