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

Systemtic Name: 4-azanyl-N5-[2-(cyclopentylamino)-2-oxidanylidene-1-pyridin-4-yl-ethyl]-N5-(phenylmethyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-benzyl-N5-[2-(cyclopentylamino)-2-oxo-1-(4-pyridyl)ethyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-N5-(phenylmethyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-benzyl-5-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-benzyl-N'-[2-(cyclopentylamino)-2-keto-1-(4-pyridyl)ethyl]isothiazole-3,5-dicarboxamide Formula: C24H26N6O3S MolecularWeight: 478.56664

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C(C2=CC=NC=C2)N(CC3=CC=CC=C3)C(=O)C4=C(C(=NS4)C(=O)N)N

Isomeric SMILES

C1CCC(C1)NC(=O)C(C2=CC=NC=C2)N(CC3=CC=CC=C3)C(=O)C4=C(C(=NS4)C(=O)N)N

InChI

InChI=1S/C24H26N6O3S/c25-18-19(22(26)31)29-34-21(18)24(33)30(14-15-6-2-1-3-7-15)20(16-10-12-27-13-11-16)23(32)28-17-8-4-5-9-17/h1-3,6-7,10-13,17,20H,4-5,8-9,14,25H2,(H2,26,31)(H,28,32)