3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-iodophenyl)-4-oxidanylidene-2-phenylimino-1,3-thiazinane-6-carboxamide

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-iodophenyl)-4-oxidanylidene-2-phenylimino-1,3-thiazinane-6-carboxamide Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-iodophenyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-iodophenyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-iodophenyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide Traditional Name: 3-homoveratryl-N-(4-iodophenyl)-4-keto-2-phenylimino-1,3-thiazinane-6-carboxamide Formula: C27H26IN3O4S MolecularWeight: 615.48251

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)CC(SC2=NC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)I)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)CC(SC2=NC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)I)OC

InChI

InChI=1S/C27H26IN3O4S/c1-34-22-13-8-18(16-23(22)35-2)14-15-31-25(32)17-24(26(33)29-21-11-9-19(28)10-12-21)36-27(31)30-20-6-4-3-5-7-20/h3-13,16,24H,14-15,17H2,1-2H3,(H,29,33)