N-cyclopropyl-N-[(1R)-1-(4-ethylphenyl)-2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-cyclopropyl-N-[(1R)-1-(4-ethylphenyl)-2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-cyclopropyl-N-[(1R)-2-(1,1-dimethylpropylamino)-1-(4-ethylphenyl)-2-oxo-ethyl]thiadiazole-4-carboxamide CAS Name: N-cyclopropyl-N-[(1R)-1-(4-ethylphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-4-thiadiazolecarboxamide IUPAC Name: N-cyclopropyl-N-[(1R)-1-(4-ethylphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]thiadiazole-4-carboxamide Traditional Name: N-[(1R)-2-(tert-amylamino)-1-(4-ethylphenyl)-2-keto-ethyl]-N-cyclopropyl-thiadiazole-4-carboxamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(=O)NC(C)(C)CC)N(C2CC2)C(=O)C3=CSN=N3

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C(=O)NC(C)(C)CC)N(C2CC2)C(=O)C3=CSN=N3

InChI

InChI=1S/C21H28N4O2S/c1-5-14-7-9-15(10-8-14)18(19(26)22-21(3,4)6-2)25(16-11-12-16)20(27)17-13-28-24-23-17/h7-10,13,16,18H,5-6,11-12H2,1-4H3,(H,22,26)/t18-/m1/s1