(4S)-4-(3-bromophenyl)-5,5-dimethyl-6-methylidene-1-(phenylmethyl)-1,3-diazinane-2-thione

Systemtic Name: (4S)-4-(3-bromophenyl)-5,5-dimethyl-6-methylidene-1-(phenylmethyl)-1,3-diazinane-2-thione Openeye Name: (4S)-1-benzyl-4-(3-bromophenyl)-5,5-dimethyl-6-methylene-hexahydropyrimidine-2-thione CAS Name: (4S)-4-(3-bromophenyl)-5,5-dimethyl-6-methylene-1-(phenylmethyl)-1,3-diazinane-2-thione IUPAC Name: (4S)-1-benzyl-4-(3-bromophenyl)-5,5-dimethyl-6-methylidene-1,3-diazinane-2-thione Traditional Name: (4S)-1-benzyl-4-(3-bromophenyl)-5,5-dimethyl-6-methylene-hexahydropyrimidine-2-thione Formula: C20H21BrN2S MolecularWeight: 401.36314

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(NC(=S)N(C1=C)CC2=CC=CC=C2)C3=CC(=CC=C3)Br)C

Isomeric SMILES

CC1([C@@H](NC(=S)N(C1=C)CC2=CC=CC=C2)C3=CC(=CC=C3)Br)C

InChI

InChI=1S/C20H21BrN2S/c1-14-20(2,3)18(16-10-7-11-17(21)12-16)22-19(24)23(14)13-15-8-5-4-6-9-15/h4-12,18H,1,13H2,2-3H3,(H,22,24)/t18-/m0/s1