N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanamide Openeye Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-(8-methyl-4-oxo-quinazolin-3-yl)butanamide CAS Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-(8-methyl-4-oxo-3-quinazolinyl)butanamide IUPAC Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide Traditional Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-(4-keto-8-methyl-quinazolin-3-yl)butyramide Formula: C27H24N4O2S MolecularWeight: 468.57006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)NC3=CC=C(C=C3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)NC3=CC=C(C=C3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H24N4O2S/c1-18-6-4-7-21-26(18)28-17-31(27(21)33)15-5-10-24(32)29-20-13-11-19(12-14-20)16-25-30-22-8-2-3-9-23(22)34-25/h2-4,6-9,11-14,17H,5,10,15-16H2,1H3,(H,29,32)