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

Systemtic Name: N-[(1R)-2-(cyclopentylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-N-(phenylmethyl)-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-benzyl-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-(3-pyridyl)ethyl]thiadiazole-4-carboxamide CAS Name: N-[(1R)-2-(cyclopentylamino)-2-oxo-1-(3-pyridinyl)ethyl]-N-(phenylmethyl)-4-thiadiazolecarboxamide IUPAC Name: N-benzyl-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]thiadiazole-4-carboxamide Traditional Name: N-benzyl-N-[(1R)-2-(cyclopentylamino)-2-keto-1-(3-pyridyl)ethyl]thiadiazole-4-carboxamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C(C2=CN=CC=C2)N(CC3=CC=CC=C3)C(=O)C4=CSN=N4

Isomeric SMILES

C1CCC(C1)NC(=O)[C@@H](C2=CN=CC=C2)N(CC3=CC=CC=C3)C(=O)C4=CSN=N4

InChI

InChI=1S/C22H23N5O2S/c28-21(24-18-10-4-5-11-18)20(17-9-6-12-23-13-17)27(14-16-7-2-1-3-8-16)22(29)19-15-30-26-25-19/h1-3,6-9,12-13,15,18,20H,4-5,10-11,14H2,(H,24,28)/t20-/m1/s1