(4S,4aR)-2-(1,3-benzothiazol-2-ylamino)-4-(4-fluorophenyl)-7,7-dimethyl-1,4,4a,6-tetrahydroquinazolin-5-one

Systemtic Name: (4S,4aR)-2-(1,3-benzothiazol-2-ylamino)-4-(4-fluorophenyl)-7,7-dimethyl-1,4,4a,6-tetrahydroquinazolin-5-one Openeye Name: (4S,4aR)-2-(1,3-benzothiazol-2-ylamino)-4-(4-fluorophenyl)-7,7-dimethyl-1,4,4a,6-tetrahydroquinazolin-5-one CAS Name: (4S,4aR)-2-(1,3-benzothiazol-2-ylamino)-4-(4-fluorophenyl)-7,7-dimethyl-1,4,4a,6-tetrahydroquinazolin-5-one IUPAC Name: (4S,4aR)-2-(1,3-benzothiazol-2-ylamino)-4-(4-fluorophenyl)-7,7-dimethyl-1,4,4a,6-tetrahydroquinazolin-5-one Traditional Name: (4S,4aR)-2-(1,3-benzothiazol-2-ylamino)-4-(4-fluorophenyl)-7,7-dimethyl-1,4,4a,6-tetrahydroquinazolin-5-one Formula: C23H21FN4OS MolecularWeight: 420.502443

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2C(N=C(NC2=C1)NC3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)F)C

Isomeric SMILES

CC1(CC(=O)[C@@H]2[C@H](N=C(NC2=C1)NC3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)F)C

InChI

InChI=1S/C23H21FN4OS/c1-23(2)11-16-19(17(29)12-23)20(13-7-9-14(24)10-8-13)27-21(25-16)28-22-26-15-5-3-4-6-18(15)30-22/h3-11,19-20H,12H2,1-2H3,(H2,25,26,27,28)/t19-,20-/m1/s1