4-[9-(butylamino)-9-oxidanylidene-nonanoyl]-N-methyl-2,3-dihydro-1,4-benzothiazine-2-carboxamide

Systemtic Name: 4-[9-(butylamino)-9-oxidanylidene-nonanoyl]-N-methyl-2,3-dihydro-1,4-benzothiazine-2-carboxamide Openeye Name: 4-[9-(butylamino)-9-oxo-nonanoyl]-N-methyl-2,3-dihydro-1,4-benzothiazine-2-carboxamide CAS Name: 4-[9-(butylamino)-1,9-dioxononyl]-N-methyl-2,3-dihydro-1,4-benzothiazine-2-carboxamide IUPAC Name: 4-[9-(butylamino)-9-oxononanoyl]-N-methyl-2,3-dihydro-1,4-benzothiazine-2-carboxamide Traditional Name: 4-[9-(butylamino)-9-keto-nonanoyl]-N-methyl-2,3-dihydro-1,4-benzothiazine-2-carboxamide Formula: C23H35N3O3S MolecularWeight: 433.6073

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCCCCCCC(=O)N1CC(SC2=CC=CC=C21)C(=O)NC

Isomeric SMILES

CCCCNC(=O)CCCCCCCC(=O)N1CC(SC2=CC=CC=C21)C(=O)NC

InChI

InChI=1S/C23H35N3O3S/c1-3-4-16-25-21(27)14-8-6-5-7-9-15-22(28)26-17-20(23(29)24-2)30-19-13-11-10-12-18(19)26/h10-13,20H,3-9,14-17H2,1-2H3,(H,24,29)(H,25,27)