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

Systemtic Name: 4-azanyl-N5-(4-methylphenyl)-N5-[2-oxidanylidene-2-[(phenylmethyl)amino]-1-pyridin-4-yl-ethyl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[2-(benzylamino)-2-oxo-1-(4-pyridyl)ethyl]-N5-(p-tolyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(4-methylphenyl)-N5-[2-oxo-2-[(phenylmethyl)amino]-1-pyridin-4-ylethyl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[2-(benzylamino)-2-oxo-1-pyridin-4-ylethyl]-5-N-(4-methylphenyl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-(benzylamino)-2-keto-1-(4-pyridyl)ethyl]-N'-(p-tolyl)isothiazole-3,5-dicarboxamide Formula: C26H24N6O3S MolecularWeight: 500.57216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C(C2=CC=NC=C2)C(=O)NCC3=CC=CC=C3)C(=O)C4=C(C(=NS4)C(=O)N)N

Isomeric SMILES

CC1=CC=C(C=C1)N(C(C2=CC=NC=C2)C(=O)NCC3=CC=CC=C3)C(=O)C4=C(C(=NS4)C(=O)N)N

InChI

InChI=1S/C26H24N6O3S/c1-16-7-9-19(10-8-16)32(26(35)23-20(27)21(24(28)33)31-36-23)22(18-11-13-29-14-12-18)25(34)30-15-17-5-3-2-4-6-17/h2-14,22H,15,27H2,1H3,(H2,28,33)(H,30,34)