(4R,4aS)-2-(1,3-benzothiazol-2-ylamino)-4-(furan-2-yl)-7,7-dimethyl-1,4,4a,6-tetrahydroquinazolin-5-one

Systemtic Name: (4R,4aS)-2-(1,3-benzothiazol-2-ylamino)-4-(furan-2-yl)-7,7-dimethyl-1,4,4a,6-tetrahydroquinazolin-5-one Openeye Name: (4R,4aS)-2-(1,3-benzothiazol-2-ylamino)-4-(2-furyl)-7,7-dimethyl-1,4,4a,6-tetrahydroquinazolin-5-one CAS Name: (4R,4aS)-2-(1,3-benzothiazol-2-ylamino)-4-(2-furanyl)-7,7-dimethyl-1,4,4a,6-tetrahydroquinazolin-5-one IUPAC Name: (4R,4aS)-2-(1,3-benzothiazol-2-ylamino)-4-(furan-2-yl)-7,7-dimethyl-1,4,4a,6-tetrahydroquinazolin-5-one Traditional Name: (4R,4aS)-2-(1,3-benzothiazol-2-ylamino)-4-(2-furyl)-7,7-dimethyl-1,4,4a,6-tetrahydroquinazolin-5-one Formula: C21H20N4O2S MolecularWeight: 392.4741

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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=CO5)C

Isomeric SMILES

CC1(CC(=O)[C@H]2[C@@H](N=C(NC2=C1)NC3=NC4=CC=CC=C4S3)C5=CC=CO5)C

InChI

InChI=1S/C21H20N4O2S/c1-21(2)10-13-17(14(26)11-21)18(15-7-5-9-27-15)24-19(22-13)25-20-23-12-6-3-4-8-16(12)28-20/h3-10,17-18H,11H2,1-2H3,(H2,22,23,24,25)/t17-,18-/m0/s1