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

Systemtic Name: N-cyclopropyl-N-[(1S)-2-oxidanylidene-2-(phenethylamino)-1-pyridin-4-yl-ethyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-cyclopropyl-N-[(1S)-2-oxo-2-(phenethylamino)-1-(4-pyridyl)ethyl]thiadiazole-4-carboxamide CAS Name: N-cyclopropyl-N-[(1S)-2-oxo-2-(phenethylamino)-1-pyridin-4-ylethyl]-4-thiadiazolecarboxamide IUPAC Name: N-cyclopropyl-N-[(1S)-2-oxo-2-(phenethylamino)-1-pyridin-4-ylethyl]thiadiazole-4-carboxamide Traditional Name: N-cyclopropyl-N-[(1S)-2-keto-2-(phenethylamino)-1-(4-pyridyl)ethyl]thiadiazole-4-carboxamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(C(C2=CC=NC=C2)C(=O)NCCC3=CC=CC=C3)C(=O)C4=CSN=N4

Isomeric SMILES

C1CC1N([C@@H](C2=CC=NC=C2)C(=O)NCCC3=CC=CC=C3)C(=O)C4=CSN=N4

InChI

InChI=1S/C21H21N5O2S/c27-20(23-13-8-15-4-2-1-3-5-15)19(16-9-11-22-12-10-16)26(17-6-7-17)21(28)18-14-29-25-24-18/h1-5,9-12,14,17,19H,6-8,13H2,(H,23,27)/t19-/m0/s1