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

Systemtic Name: 4-azanyl-N5-(1,3-benzodioxol-5-ylmethyl)-N5-[1-(3-methylbutylamino)-1-oxidanylidene-pentan-2-yl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-(1,3-benzodioxol-5-ylmethyl)-N5-[1-(isopentylcarbamoyl)butyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(1,3-benzodioxol-5-ylmethyl)-N5-[1-(3-methylbutylamino)-1-oxopentan-2-yl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-(1,3-benzodioxol-5-ylmethyl)-5-N-[1-(3-methylbutylamino)-1-oxopentan-2-yl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[1-(isoamylcarbamoyl)butyl]-N'-piperonyl-isothiazole-3,5-dicarboxamide Formula: C23H31N5O5S MolecularWeight: 489.58774

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NCCC(C)C)N(CC1=CC2=C(C=C1)OCO2)C(=O)C3=C(C(=NS3)C(=O)N)N

Isomeric SMILES

CCCC(C(=O)NCCC(C)C)N(CC1=CC2=C(C=C1)OCO2)C(=O)C3=C(C(=NS3)C(=O)N)N

InChI

InChI=1S/C23H31N5O5S/c1-4-5-15(22(30)26-9-8-13(2)3)28(11-14-6-7-16-17(10-14)33-12-32-16)23(31)20-18(24)19(21(25)29)27-34-20/h6-7,10,13,15H,4-5,8-9,11-12,24H2,1-3H3,(H2,25,29)(H,26,30)