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

Systemtic Name: N-[(1R)-2-(cyclohexylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-N-phenethyl-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(3-pyridyl)ethyl]-N-phenethyl-thiadiazole-4-carboxamide CAS Name: N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(3-pyridinyl)ethyl]-N-phenethyl-4-thiadiazolecarboxamide IUPAC Name: N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-phenethylthiadiazole-4-carboxamide Traditional Name: N-[(1R)-2-(cyclohexylamino)-2-keto-1-(3-pyridyl)ethyl]-N-phenethyl-thiadiazole-4-carboxamide Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(C2=CN=CC=C2)N(CCC3=CC=CC=C3)C(=O)C4=CSN=N4

Isomeric SMILES

C1CCC(CC1)NC(=O)[C@@H](C2=CN=CC=C2)N(CCC3=CC=CC=C3)C(=O)C4=CSN=N4

InChI

InChI=1S/C24H27N5O2S/c30-23(26-20-11-5-2-6-12-20)22(19-10-7-14-25-16-19)29(24(31)21-17-32-28-27-21)15-13-18-8-3-1-4-9-18/h1,3-4,7-10,14,16-17,20,22H,2,5-6,11-13,15H2,(H,26,30)/t22-/m1/s1