4-azanyl-N5-(1,3-benzodioxol-5-ylmethyl)-N5-[1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-(1,3-benzodioxol-5-ylmethyl)-N5-[1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-(1,3-benzodioxol-5-ylmethyl)-N5-[2-(cyclohexylamino)-1-methyl-2-oxo-ethyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(1,3-benzodioxol-5-ylmethyl)-N5-[1-(cyclohexylamino)-1-oxopropan-2-yl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-(1,3-benzodioxol-5-ylmethyl)-5-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-(cyclohexylamino)-2-keto-1-methyl-ethyl]-N'-piperonyl-isothiazole-3,5-dicarboxamide Formula: C22H27N5O5S MolecularWeight: 473.54528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)N(CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C(=NS4)C(=O)N)N

Isomeric SMILES

CC(C(=O)NC1CCCCC1)N(CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C(=NS4)C(=O)N)N

InChI

InChI=1S/C22H27N5O5S/c1-12(21(29)25-14-5-3-2-4-6-14)27(10-13-7-8-15-16(9-13)32-11-31-15)22(30)19-17(23)18(20(24)28)26-33-19/h7-9,12,14H,2-6,10-11,23H2,1H3,(H2,24,28)(H,25,29)