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

Systemtic Name: N-(2-bromophenyl)-N-[(1S)-2-(cyclopentylamino)-2-oxidanylidene-1-pyridin-2-yl-ethyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-(2-bromophenyl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-(2-pyridyl)ethyl]thiadiazole-4-carboxamide CAS Name: N-(2-bromophenyl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-(2-pyridinyl)ethyl]-4-thiadiazolecarboxamide IUPAC Name: N-(2-bromophenyl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide Traditional Name: N-(2-bromophenyl)-N-[(1S)-2-(cyclopentylamino)-2-keto-1-(2-pyridyl)ethyl]thiadiazole-4-carboxamide Formula: C21H20BrN5O2S MolecularWeight: 486.3848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C(C2=CC=CC=N2)N(C3=CC=CC=C3Br)C(=O)C4=CSN=N4

Isomeric SMILES

C1CCC(C1)NC(=O)[C@H](C2=CC=CC=N2)N(C3=CC=CC=C3Br)C(=O)C4=CSN=N4

InChI

InChI=1S/C21H20BrN5O2S/c22-15-9-3-4-11-18(15)27(21(29)17-13-30-26-25-17)19(16-10-5-6-12-23-16)20(28)24-14-7-1-2-8-14/h3-6,9-14,19H,1-2,7-8H2,(H,24,28)/t19-/m0/s1