(4E)-4-(4,4-dimethyl-3,5-dihydro-1H-1,5-benzodiazepin-2-ylidene)-2,5,5-trimethyl-thiolan-3-one

Systemtic Name: (4E)-4-(4,4-dimethyl-3,5-dihydro-1H-1,5-benzodiazepin-2-ylidene)-2,5,5-trimethyl-thiolan-3-one Openeye Name: (4E)-4-(4,4-dimethyl-3,5-dihydro-1H-1,5-benzodiazepin-2-ylidene)-2,5,5-trimethyl-tetrahydrothiophen-3-one CAS Name: (4E)-4-(4,4-dimethyl-3,5-dihydro-1H-1,5-benzodiazepin-2-ylidene)-2,5,5-trimethyl-3-thiolanone IUPAC Name: (4E)-4-(4,4-dimethyl-3,5-dihydro-1H-1,5-benzodiazepin-2-ylidene)-2,5,5-trimethylthiolan-3-one Traditional Name: (4E)-4-(4,4-dimethyl-3,5-dihydro-1H-1,5-benzodiazepin-2-ylidene)-2,5,5-trimethyl-tetrahydrothiophen-3-one Formula: C18H24N2OS MolecularWeight: 316.46096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C(=C2CC(NC3=CC=CC=C3N2)(C)C)C(S1)(C)C

Isomeric SMILES

CC1C(=O)/C(=C\2/CC(NC3=CC=CC=C3N2)(C)C)/C(S1)(C)C

InChI

InChI=1S/C18H24N2OS/c1-11-16(21)15(18(4,5)22-11)14-10-17(2,3)20-13-9-7-6-8-12(13)19-14/h6-9,11,19-20H,10H2,1-5H3/b15-14+