(3aS,4R,8R,8aS)-2,2-dimethyl-4,8-bis[(4-methylsulfanylphenyl)methyl]-3a,4,5,7,8,8a-hexahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-6-one

Systemtic Name: (3aS,4R,8R,8aS)-2,2-dimethyl-4,8-bis[(4-methylsulfanylphenyl)methyl]-3a,4,5,7,8,8a-hexahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-6-one Openeye Name: (3aS,4R,8R,8aS)-2,2-dimethyl-4,8-bis[(4-methylsulfanylphenyl)methyl]-3a,4,5,7,8,8a-hexahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-6-one CAS Name: (3aS,4R,8R,8aS)-2,2-dimethyl-4,8-bis[[4-(methylthio)phenyl]methyl]-3a,4,5,7,8,8a-hexahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-6-one IUPAC Name: (3aS,4R,8R,8aS)-2,2-dimethyl-4,8-bis[(4-methylsulfanylphenyl)methyl]-3a,4,5,7,8,8a-hexahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-6-one Traditional Name: (3aS,4R,8R,8aS)-2,2-dimethyl-4,8-bis[4-(methylthio)benzyl]-3a,4,5,7,8,8a-hexahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-6-one Formula: C24H30N2O3S2 MolecularWeight: 458.6366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(NC(=O)NC(C2O1)CC3=CC=C(C=C3)SC)CC4=CC=C(C=C4)SC)C

Isomeric SMILES

CC1(O[C@H]2[C@H](NC(=O)N[C@@H]([C@@H]2O1)CC3=CC=C(C=C3)SC)CC4=CC=C(C=C4)SC)C

InChI

InChI=1S/C24H30N2O3S2/c1-24(2)28-21-19(13-15-5-9-17(30-3)10-6-15)25-23(27)26-20(22(21)29-24)14-16-7-11-18(31-4)12-8-16/h5-12,19-22H,13-14H2,1-4H3,(H2,25,26,27)/t19-,20-,21+,22+/m1/s1