3-(1,3-benzodioxol-5-ylmethyl)-N-(4-iodophenyl)-4-oxidanylidene-2-phenylimino-1,3-thiazinane-6-carboxamide

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-iodophenyl)-4-oxidanylidene-2-phenylimino-1,3-thiazinane-6-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-iodophenyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-iodophenyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-iodophenyl)-4-oxo-2-phenylimino-1,3-thiazinane-6-carboxamide Traditional Name: N-(4-iodophenyl)-4-keto-2-phenylimino-3-piperonyl-1,3-thiazinane-6-carboxamide Formula: C25H20IN3O4S MolecularWeight: 585.41347

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC(=NC2=CC=CC=C2)N(C1=O)CC3=CC4=C(C=C3)OCO4)C(=O)NC5=CC=C(C=C5)I

Isomeric SMILES

C1C(SC(=NC2=CC=CC=C2)N(C1=O)CC3=CC4=C(C=C3)OCO4)C(=O)NC5=CC=C(C=C5)I

InChI

InChI=1S/C25H20IN3O4S/c26-17-7-9-19(10-8-17)27-24(31)22-13-23(30)29(25(34-22)28-18-4-2-1-3-5-18)14-16-6-11-20-21(12-16)33-15-32-20/h1-12,22H,13-15H2,(H,27,31)