N-[3-(1,3-benzothiazol-2-yl)propyl]-4-(4-oxidanylidenequinazolin-3-yl)butanamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-(4-oxidanylidenequinazolin-3-yl)butanamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-(4-oxoquinazolin-3-yl)butanamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-(4-oxo-3-quinazolinyl)butanamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-(4-oxoquinazolin-3-yl)butanamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-(4-ketoquinazolin-3-yl)butyramide Formula: C22H22N4O2S MolecularWeight: 406.50068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)CCCC(=O)NCCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)CCCC(=O)NCCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N4O2S/c27-20(23-13-5-12-21-25-18-9-3-4-10-19(18)29-21)11-6-14-26-15-24-17-8-2-1-7-16(17)22(26)28/h1-4,7-10,15H,5-6,11-14H2,(H,23,27)