(3aS,4R,8R,8aS)-2,2-dimethyl-4,8-bis[(4-methylsulfanylphenyl)methyl]-5,7-bis(phenylmethyl)-3a,4,8,8a-tetrahydro-[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]-5,7-bis(phenylmethyl)-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-6-one Openeye Name: (3aS,4R,8R,8aS)-5,7-dibenzyl-2,2-dimethyl-4,8-bis[(4-methylsulfanylphenyl)methyl]-3a,4,8,8a-tetrahydro-[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]-5,7-bis(phenylmethyl)-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-6-one IUPAC Name: (3aS,4R,8R,8aS)-5,7-dibenzyl-2,2-dimethyl-4,8-bis[(4-methylsulfanylphenyl)methyl]-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-6-one Traditional Name: (3aS,4R,8R,8aS)-5,7-dibenzyl-2,2-dimethyl-4,8-bis[4-(methylthio)benzyl]-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-6-one Formula: C38H42N2O3S2 MolecularWeight: 638.88168

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(N(C(=O)N(C(C2O1)CC3=CC=C(C=C3)SC)CC4=CC=CC=C4)CC5=CC=CC=C5)CC6=CC=C(C=C6)SC)C

Isomeric SMILES

CC1(O[C@H]2[C@H](N(C(=O)N([C@@H]([C@@H]2O1)CC3=CC=C(C=C3)SC)CC4=CC=CC=C4)CC5=CC=CC=C5)CC6=CC=C(C=C6)SC)C

InChI

InChI=1S/C38H42N2O3S2/c1-38(2)42-35-33(23-27-15-19-31(44-3)20-16-27)39(25-29-11-7-5-8-12-29)37(41)40(26-30-13-9-6-10-14-30)34(36(35)43-38)24-28-17-21-32(45-4)22-18-28/h5-22,33-36H,23-26H2,1-4H3/t33-,34-,35+,36+/m1/s1