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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-iodophenyl)-2-(4-methoxyphenyl)imino-4-oxidanylidene-1,3-thiazinane-6-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-iodophenyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-iodophenyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-iodophenyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carboxamide Traditional Name: N-(4-iodophenyl)-4-keto-2-(4-methoxyphenyl)imino-3-piperonyl-1,3-thiazinane-6-carboxamide Formula: C26H22IN3O5S MolecularWeight: 615.43945

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC3=CC=C(C=C3)I)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC3=CC=C(C=C3)I)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H22IN3O5S/c1-33-20-9-7-19(8-10-20)29-26-30(14-16-2-11-21-22(12-16)35-15-34-21)24(31)13-23(36-26)25(32)28-18-5-3-17(27)4-6-18/h2-12,23H,13-15H2,1H3,(H,28,32)