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

Systemtic Name: 4-azanyl-N5-(1,3-benzodioxol-5-yl)-N5-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-(1,3-benzodioxol-5-yl)-N5-[2-(cyclohexylamino)-2-oxo-ethyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(1,3-benzodioxol-5-yl)-N5-[2-(cyclohexylamino)-2-oxoethyl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-(1,3-benzodioxol-5-yl)-5-N-[2-(cyclohexylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-(1,3-benzodioxol-5-yl)-N'-[2-(cyclohexylamino)-2-keto-ethyl]isothiazole-3,5-dicarboxamide Formula: C20H23N5O5S MolecularWeight: 445.49212

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CN(C2=CC3=C(C=C2)OCO3)C(=O)C4=C(C(=NS4)C(=O)N)N

Isomeric SMILES

C1CCC(CC1)NC(=O)CN(C2=CC3=C(C=C2)OCO3)C(=O)C4=C(C(=NS4)C(=O)N)N

InChI

InChI=1S/C20H23N5O5S/c21-16-17(19(22)27)24-31-18(16)20(28)25(9-15(26)23-11-4-2-1-3-5-11)12-6-7-13-14(8-12)30-10-29-13/h6-8,11H,1-5,9-10,21H2,(H2,22,27)(H,23,26)