(4R,4aS)-4-(2-methoxyphenyl)-7,7-dimethyl-2-sulfanylidene-3,4,4a,6-tetrahydro-1H-quinazolin-5-one

Systemtic Name: (4R,4aS)-4-(2-methoxyphenyl)-7,7-dimethyl-2-sulfanylidene-3,4,4a,6-tetrahydro-1H-quinazolin-5-one Openeye Name: (4R,4aS)-4-(2-methoxyphenyl)-7,7-dimethyl-2-thioxo-3,4,4a,6-tetrahydro-1H-quinazolin-5-one CAS Name: (4R,4aS)-4-(2-methoxyphenyl)-7,7-dimethyl-2-sulfanylidene-3,4,4a,6-tetrahydro-1H-quinazolin-5-one IUPAC Name: (4R,4aS)-4-(2-methoxyphenyl)-7,7-dimethyl-2-sulfanylidene-3,4,4a,6-tetrahydro-1H-quinazolin-5-one Traditional Name: (4R,4aS)-4-(2-methoxyphenyl)-7,7-dimethyl-2-thioxo-3,4,4a,6-tetrahydro-1H-quinazolin-5-one Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2C(NC(=S)NC2=C1)C3=CC=CC=C3OC)C

Isomeric SMILES

CC1(CC(=O)[C@H]2[C@@H](NC(=S)NC2=C1)C3=CC=CC=C3OC)C

InChI

InChI=1S/C17H20N2O2S/c1-17(2)8-11-14(12(20)9-17)15(19-16(22)18-11)10-6-4-5-7-13(10)21-3/h4-8,14-15H,9H2,1-3H3,(H2,18,19,22)/t14-,15-/m0/s1