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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-N-phenethyl-2-phenylimino-1,3-thiazinane-6-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-N-phenethyl-2-phenylimino-1,3-thiazinane-6-carboxamide CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-N-phenethyl-2-phenylimino-1,3-thiazinane-6-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-N-phenethyl-2-phenylimino-1,3-thiazinane-6-carboxamide Traditional Name: 4-keto-N-phenethyl-2-phenylimino-3-piperonyl-1,3-thiazinane-6-carboxamide Formula: C27H25N3O4S MolecularWeight: 487.5701

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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)NCCC5=CC=CC=C5

Isomeric SMILES

C1C(SC(=NC2=CC=CC=C2)N(C1=O)CC3=CC4=C(C=C3)OCO4)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O4S/c31-25-16-24(26(32)28-14-13-19-7-3-1-4-8-19)35-27(29-21-9-5-2-6-10-21)30(25)17-20-11-12-22-23(15-20)34-18-33-22/h1-12,15,24H,13-14,16-18H2,(H,28,32)