N-(1-adamantyl)-4-(4-methoxyphenyl)carbonyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide

Systemtic Name: N-(1-adamantyl)-4-(4-methoxyphenyl)carbonyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide Openeye Name: N-(1-adamantyl)-4-(4-methoxybenzoyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide CAS Name: N-(1-adamantyl)-4-[(4-methoxyphenyl)-oxomethyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide IUPAC Name: N-(1-adamantyl)-4-(4-methoxybenzoyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide Traditional Name: N-(1-adamantyl)-4-p-anisoyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide Formula: C27H30N2O3S MolecularWeight: 462.6037

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCSC3=C2C=C(C=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCSC3=C2C=C(C=C3)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H30N2O3S/c1-32-22-5-2-20(3-6-22)26(31)29-8-9-33-24-7-4-21(13-23(24)29)25(30)28-27-14-17-10-18(15-27)12-19(11-17)16-27/h2-7,13,17-19H,8-12,14-16H2,1H3,(H,28,30)