4-azanyl-N5-(1,3-benzodioxol-5-ylmethyl)-N3-cyclohexyl-N5-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-(1,3-benzodioxol-5-ylmethyl)-N3-cyclohexyl-N5-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-(1,3-benzodioxol-5-ylmethyl)-N3-cyclohexyl-N5-[2-(cyclopentylamino)-2-oxo-ethyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(1,3-benzodioxol-5-ylmethyl)-N3-cyclohexyl-N5-[2-(cyclopentylamino)-2-oxoethyl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-(1,3-benzodioxol-5-ylmethyl)-3-N-cyclohexyl-5-N-[2-(cyclopentylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N-cyclohexyl-N'-[2-(cyclopentylamino)-2-keto-ethyl]-N'-piperonyl-isothiazole-3,5-dicarboxamide Formula: C26H33N5O5S MolecularWeight: 527.63572

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=NSC(=C2N)C(=O)N(CC3=CC4=C(C=C3)OCO4)CC(=O)NC5CCCC5

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=NSC(=C2N)C(=O)N(CC3=CC4=C(C=C3)OCO4)CC(=O)NC5CCCC5

InChI

InChI=1S/C26H33N5O5S/c27-22-23(25(33)29-18-6-2-1-3-7-18)30-37-24(22)26(34)31(14-21(32)28-17-8-4-5-9-17)13-16-10-11-19-20(12-16)36-15-35-19/h10-12,17-18H,1-9,13-15,27H2,(H,28,32)(H,29,33)