N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(4-oxidanylidene-1H-quinazolin-2-yl)propanamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(4-oxidanylidene-1H-quinazolin-2-yl)propanamide Openeye Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide CAS Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide IUPAC Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide Traditional Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(4-keto-1H-quinazolin-2-yl)propionamide Formula: C25H20N4O2S MolecularWeight: 440.5169

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)CCC(=O)NC3=CC=C(C=C3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)CCC(=O)NC3=CC=C(C=C3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H20N4O2S/c30-23(14-13-22-27-19-6-2-1-5-18(19)25(31)29-22)26-17-11-9-16(10-12-17)15-24-28-20-7-3-4-8-21(20)32-24/h1-12H,13-15H2,(H,26,30)(H,27,29,31)