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

Systemtic Name: N-[(4-methylphenyl)methyl]-3-oxidanylidene-2-pyrrolidin-1-yl-4H-1,4-benzothiazine-6-carboxamide Openeye Name: 3-oxo-N-(p-tolylmethyl)-2-pyrrolidin-1-yl-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-3-oxo-2-(1-pyrrolidinyl)-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-3-oxo-2-pyrrolidin-1-yl-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 3-keto-N-(4-methylbenzyl)-2-pyrrolidino-4H-1,4-benzothiazine-6-carboxamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SC(C(=O)N3)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SC(C(=O)N3)N4CCCC4

InChI

InChI=1S/C21H23N3O2S/c1-14-4-6-15(7-5-14)13-22-19(25)16-8-9-18-17(12-16)23-20(26)21(27-18)24-10-2-3-11-24/h4-9,12,21H,2-3,10-11,13H2,1H3,(H,22,25)(H,23,26)