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

Systemtic Name: (4S,4aR)-2-(1,3-benzothiazol-2-ylamino)-7,7-dimethyl-4-(3-methylphenyl)-1,4,4a,6-tetrahydroquinazolin-5-one Openeye Name: (4S,4aR)-2-(1,3-benzothiazol-2-ylamino)-7,7-dimethyl-4-(m-tolyl)-1,4,4a,6-tetrahydroquinazolin-5-one CAS Name: (4S,4aR)-2-(1,3-benzothiazol-2-ylamino)-7,7-dimethyl-4-(3-methylphenyl)-1,4,4a,6-tetrahydroquinazolin-5-one IUPAC Name: (4S,4aR)-2-(1,3-benzothiazol-2-ylamino)-7,7-dimethyl-4-(3-methylphenyl)-1,4,4a,6-tetrahydroquinazolin-5-one Traditional Name: (4S,4aR)-2-(1,3-benzothiazol-2-ylamino)-7,7-dimethyl-4-(m-tolyl)-1,4,4a,6-tetrahydroquinazolin-5-one Formula: C24H24N4OS MolecularWeight: 416.53856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2C3C(=O)CC(C=C3NC(=N2)NC4=NC5=CC=CC=C5S4)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)[C@@H]2[C@H]3C(=O)CC(C=C3NC(=N2)NC4=NC5=CC=CC=C5S4)(C)C

InChI

InChI=1S/C24H24N4OS/c1-14-7-6-8-15(11-14)21-20-17(12-24(2,3)13-18(20)29)25-22(27-21)28-23-26-16-9-4-5-10-19(16)30-23/h4-12,20-21H,13H2,1-3H3,(H2,25,26,27,28)/t20-,21-/m1/s1