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

Systemtic Name: 4-azanyl-N5-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]-N5-(pyridin-3-ylmethyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[2-(cyclopentylamino)-2-oxo-ethyl]-N5-(3-pyridylmethyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[2-(cyclopentylamino)-2-oxoethyl]-N5-(3-pyridinylmethyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-(pyridin-3-ylmethyl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-(cyclopentylamino)-2-keto-ethyl]-N'-(3-pyridylmethyl)isothiazole-3,5-dicarboxamide Formula: C18H22N6O3S MolecularWeight: 402.47068

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)CN(CC2=CN=CC=C2)C(=O)C3=C(C(=NS3)C(=O)N)N

Isomeric SMILES

C1CCC(C1)NC(=O)CN(CC2=CN=CC=C2)C(=O)C3=C(C(=NS3)C(=O)N)N

InChI

InChI=1S/C18H22N6O3S/c19-14-15(17(20)26)23-28-16(14)18(27)24(9-11-4-3-7-21-8-11)10-13(25)22-12-5-1-2-6-12/h3-4,7-8,12H,1-2,5-6,9-10,19H2,(H2,20,26)(H,22,25)