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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxidanylidene-N-(4-propoxyphenyl)-1,3-thiazinane-6-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-N-(4-propoxyphenyl)-1,3-thiazinane-6-carboxamide CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-N-(4-propoxyphenyl)-1,3-thiazinane-6-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxyphenyl)imino-4-oxo-N-(4-propoxyphenyl)-1,3-thiazinane-6-carboxamide Traditional Name: 4-keto-2-(4-methoxyphenyl)imino-3-piperonyl-N-(4-propoxyphenyl)-1,3-thiazinane-6-carboxamide Formula: C29H29N3O6S MolecularWeight: 547.62206

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=C(C=C3)OC)S2)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCOC1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=C(C=C3)OC)S2)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H29N3O6S/c1-3-14-36-23-11-7-20(8-12-23)30-28(34)26-16-27(33)32(17-19-4-13-24-25(15-19)38-18-37-24)29(39-26)31-21-5-9-22(35-2)10-6-21/h4-13,15,26H,3,14,16-18H2,1-2H3,(H,30,34)