3-(2-methylpropyl)-1,1-bis(oxidanylidene)-3,5-dihydro-2H-1$l^{6},2,5-benzothiadiazepin-4-one

Systemtic Name: 3-(2-methylpropyl)-1,1-bis(oxidanylidene)-3,5-dihydro-2H-1$l^{6},2,5-benzothiadiazepin-4-one Openeye Name: 3-isobutyl-1,1-dioxo-3,5-dihydro-2H-1$l^{6},2,5-benzothiadiazepin-4-one CAS Name: 3-(2-methylpropyl)-1,1-dioxo-3,5-dihydro-2H-1$l^{6},2,5-benzothiadiazepin-4-one IUPAC Name: 3-(2-methylpropyl)-1,1-dioxo-3,5-dihydro-2H-1$l^{6},2,5-benzothiadiazepin-4-one Traditional Name: 3-isobutyl-1,1-diketo-3,5-dihydro-2H-1$l^{6},2,5-benzothiadiazepin-4-one Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)NC2=CC=CC=C2S(=O)(=O)N1

Isomeric SMILES

CC(C)CC1C(=O)NC2=CC=CC=C2S(=O)(=O)N1

InChI

InChI=1S/C12H16N2O3S/c1-8(2)7-10-12(15)13-9-5-3-4-6-11(9)18(16,17)14-10/h3-6,8,10,14H,7H2,1-2H3,(H,13,15)