2-[[1,3-benzothiazol-2-ylmethyl(butyl)amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[1,3-benzothiazol-2-ylmethyl(butyl)amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[1,3-benzothiazol-2-ylmethyl(butyl)amino]methyl]-1H-quinazolin-4-one CAS Name: 2-[[1,3-benzothiazol-2-ylmethyl(butyl)amino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[1,3-benzothiazol-2-ylmethyl(butyl)amino]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[1,3-benzothiazol-2-ylmethyl(butyl)amino]methyl]-1H-quinazolin-4-one Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=NC(=O)C2=CC=CC=C2N1)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCCN(CC1=NC(=O)C2=CC=CC=C2N1)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N4OS/c1-2-3-12-25(14-20-23-17-10-6-7-11-18(17)27-20)13-19-22-16-9-5-4-8-15(16)21(26)24-19/h4-11H,2-3,12-14H2,1H3,(H,22,24,26)