N-[(1R)-2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-N-(phenylmethyl)-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[(1R)-2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-N-(phenylmethyl)-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-benzyl-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(3-pyridyl)ethyl]thiadiazole-4-carboxamide CAS Name: N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(3-pyridinyl)ethyl]-N-(phenylmethyl)-4-thiadiazolecarboxamide IUPAC Name: N-benzyl-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide Traditional Name: N-benzyl-N-[(1R)-2-(cyclohexylamino)-2-keto-1-(3-pyridyl)ethyl]thiadiazole-4-carboxamide Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(C2=CN=CC=C2)N(CC3=CC=CC=C3)C(=O)C4=CSN=N4

Isomeric SMILES

C1CCC(CC1)NC(=O)[C@@H](C2=CN=CC=C2)N(CC3=CC=CC=C3)C(=O)C4=CSN=N4

InChI

InChI=1S/C23H25N5O2S/c29-22(25-19-11-5-2-6-12-19)21(18-10-7-13-24-14-18)28(15-17-8-3-1-4-9-17)23(30)20-16-31-27-26-20/h1,3-4,7-10,13-14,16,19,21H,2,5-6,11-12,15H2,(H,25,29)/t21-/m1/s1