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

Systemtic Name: 4-azanyl-N5-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-N5-(pyridin-3-ylmethyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[2-(cyclohexylamino)-2-oxo-ethyl]-N5-(3-pyridylmethyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[2-(cyclohexylamino)-2-oxoethyl]-N5-(3-pyridinylmethyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[2-(cyclohexylamino)-2-oxoethyl]-5-N-(pyridin-3-ylmethyl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-(cyclohexylamino)-2-keto-ethyl]-N'-(3-pyridylmethyl)isothiazole-3,5-dicarboxamide Formula: C19H24N6O3S MolecularWeight: 416.49726

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CN(CC2=CN=CC=C2)C(=O)C3=C(C(=NS3)C(=O)N)N

Isomeric SMILES

C1CCC(CC1)NC(=O)CN(CC2=CN=CC=C2)C(=O)C3=C(C(=NS3)C(=O)N)N

InChI

InChI=1S/C19H24N6O3S/c20-15-16(18(21)27)24-29-17(15)19(28)25(10-12-5-4-8-22-9-12)11-14(26)23-13-6-2-1-3-7-13/h4-5,8-9,13H,1-3,6-7,10-11,20H2,(H2,21,27)(H,23,26)