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

Systemtic Name: 4-[(4-methylphenyl)methyl]-3-oxidanylidene-N-(pyridin-3-ylmethyl)-1,4-benzothiazine-6-carboxamide Openeye Name: 3-oxo-4-(p-tolylmethyl)-N-(3-pyridylmethyl)-1,4-benzothiazine-6-carboxamide CAS Name: 4-[(4-methylphenyl)methyl]-3-oxo-N-(3-pyridinylmethyl)-1,4-benzothiazine-6-carboxamide IUPAC Name: 4-[(4-methylphenyl)methyl]-3-oxo-N-(pyridin-3-ylmethyl)-1,4-benzothiazine-6-carboxamide Traditional Name: 3-keto-4-(4-methylbenzyl)-N-(3-pyridylmethyl)-1,4-benzothiazine-6-carboxamide Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)CSC3=C2C=C(C=C3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)CSC3=C2C=C(C=C3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C23H21N3O2S/c1-16-4-6-17(7-5-16)14-26-20-11-19(8-9-21(20)29-15-22(26)27)23(28)25-13-18-3-2-10-24-12-18/h2-12H,13-15H2,1H3,(H,25,28)