(4S,4aR)-2-(1,3-benzothiazol-2-ylamino)-4-phenyl-4,4a,6,7-tetrahydro-1H-quinazolin-5-one

Systemtic Name: (4S,4aR)-2-(1,3-benzothiazol-2-ylamino)-4-phenyl-4,4a,6,7-tetrahydro-1H-quinazolin-5-one Openeye Name: (4S,4aR)-2-(1,3-benzothiazol-2-ylamino)-4-phenyl-4,4a,6,7-tetrahydro-1H-quinazolin-5-one CAS Name: (4S,4aR)-2-(1,3-benzothiazol-2-ylamino)-4-phenyl-4,4a,6,7-tetrahydro-1H-quinazolin-5-one IUPAC Name: (4S,4aR)-2-(1,3-benzothiazol-2-ylamino)-4-phenyl-4,4a,6,7-tetrahydro-1H-quinazolin-5-one Traditional Name: (4S,4aR)-2-(1,3-benzothiazol-2-ylamino)-4-phenyl-4,4a,6,7-tetrahydro-1H-quinazolin-5-one Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C2C(N=C(NC2=C1)NC3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

C1CC(=O)[C@@H]2[C@H](N=C(NC2=C1)NC3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C21H18N4OS/c26-16-11-6-10-15-18(16)19(13-7-2-1-3-8-13)24-20(22-15)25-21-23-14-9-4-5-12-17(14)27-21/h1-5,7-10,12,18-19H,6,11H2,(H2,22,23,24,25)/t18-,19-/m1/s1