4-[5-azanyl-9-(butylamino)-3,3,8-trimethyl-6-oxidanyl-9-oxidanylidene-nonanoyl]-N-methyl-2,3-dihydro-1,4-benzothiazine-2-carboxamide

Systemtic Name: 4-[5-azanyl-9-(butylamino)-3,3,8-trimethyl-6-oxidanyl-9-oxidanylidene-nonanoyl]-N-methyl-2,3-dihydro-1,4-benzothiazine-2-carboxamide Openeye Name: 4-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-9-oxo-nonanoyl]-N-methyl-2,3-dihydro-1,4-benzothiazine-2-carboxamide CAS Name: 4-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-1,9-dioxononyl]-N-methyl-2,3-dihydro-1,4-benzothiazine-2-carboxamide IUPAC Name: 4-[5-amino-9-(butylamino)-6-hydroxy-3,3,8-trimethyl-9-oxononanoyl]-N-methyl-2,3-dihydro-1,4-benzothiazine-2-carboxamide Traditional Name: 4-[5-amino-9-(butylamino)-6-hydroxy-9-keto-3,3,8-trimethyl-nonanoyl]-N-methyl-2,3-dihydro-1,4-benzothiazine-2-carboxamide Formula: C26H42N4O4S MolecularWeight: 506.70108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H42N4O4S/c1-6-7-12-29-24(33)17(2)13-20(31)18(27)14-26(3,4)15-23(32)30-16-22(25(34)28-5)35-21-11-9-8-10-19(21)30/h8-11,17-18,20,22,31H,6-7,12-16,27H2,1-5H3,(H,28,34)(H,29,33)