7-chloranyl-2-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-4,8-dimethyl-1,1-bis(oxidanylidene)-1$l^{6},5,2-benzodithiazepin-3-one

Systemtic Name: 7-chloranyl-2-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-4,8-dimethyl-1,1-bis(oxidanylidene)-1$l^{6},5,2-benzodithiazepin-3-one Openeye Name: 7-chloro-2-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-4,8-dimethyl-1,1-dioxo-1$l^{6},5,2-benzodithiazepin-3-one CAS Name: 7-chloro-2-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-4,8-dimethyl-1,1-dioxo-1$l^{6},5,2-benzodithiazepin-3-one IUPAC Name: 7-chloro-2-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-4,8-dimethyl-1,1-dioxo-1$l^{6},5,2-benzodithiazepin-3-one Traditional Name: 7-chloro-2-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)-1,1-diketo-4,8-dimethyl-1$l^{6},5,2-benzodithiazepin-3-one Formula: C16H20ClN3O3S2 MolecularWeight: 401.9313

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(S(=O)(=O)C2=C(S1)C=C(C(=C2)C)Cl)C3=NCC(CN3)(C)C

Isomeric SMILES

CC1C(=O)N(S(=O)(=O)C2=C(S1)C=C(C(=C2)C)Cl)C3=NCC(CN3)(C)C

InChI

InChI=1S/C16H20ClN3O3S2/c1-9-5-13-12(6-11(9)17)24-10(2)14(21)20(25(13,22)23)15-18-7-16(3,4)8-19-15/h5-6,10H,7-8H2,1-4H3,(H,18,19)