N-(3-methylbutyl)-4-[(2-methylphenyl)methyl]-3-oxidanylidene-1,4-benzothiazine-6-carboxamide

Systemtic Name: N-(3-methylbutyl)-4-[(2-methylphenyl)methyl]-3-oxidanylidene-1,4-benzothiazine-6-carboxamide Openeye Name: N-isopentyl-4-(o-tolylmethyl)-3-oxo-1,4-benzothiazine-6-carboxamide CAS Name: N-(3-methylbutyl)-4-[(2-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide IUPAC Name: N-(3-methylbutyl)-4-[(2-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide Traditional Name: N-isoamyl-3-keto-4-(2-methylbenzyl)-1,4-benzothiazine-6-carboxamide Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=O)CSC3=C2C=C(C=C3)C(=O)NCCC(C)C

Isomeric SMILES

CC1=CC=CC=C1CN2C(=O)CSC3=C2C=C(C=C3)C(=O)NCCC(C)C

InChI

InChI=1S/C22H26N2O2S/c1-15(2)10-11-23-22(26)17-8-9-20-19(12-17)24(21(25)14-27-20)13-18-7-5-4-6-16(18)3/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,23,26)