N-methyl-5,5-bis(oxidanylidene)-N-(phenylmethyl)-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxamide

Systemtic Name: N-methyl-5,5-bis(oxidanylidene)-N-(phenylmethyl)-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxamide Openeye Name: N-benzyl-N-methyl-5,5-dioxo-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxamide CAS Name: N-methyl-5,5-dioxo-N-(phenylmethyl)-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxamide IUPAC Name: N-benzyl-N-methyl-5,5-dioxo-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxamide Traditional Name: N-benzyl-5,5-diketo-N-methyl-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)N4CCCCCC4=NS3(=O)=O

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)N4CCCCCC4=NS3(=O)=O

InChI

InChI=1S/C21H23N3O3S/c1-23(15-16-8-4-2-5-9-16)21(25)17-11-12-18-19(14-17)28(26,27)22-20-10-6-3-7-13-24(18)20/h2,4-5,8-9,11-12,14H,3,6-7,10,13,15H2,1H3