N-[(1S)-2-(tert-butylamino)-1-(2-ethoxyphenyl)-2-oxidanylidene-ethyl]-N-cyclopentyl-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[(1S)-2-(tert-butylamino)-1-(2-ethoxyphenyl)-2-oxidanylidene-ethyl]-N-cyclopentyl-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[(1S)-2-(tert-butylamino)-1-(2-ethoxyphenyl)-2-oxo-ethyl]-N-cyclopentyl-thiadiazole-4-carboxamide CAS Name: N-[(1S)-2-(tert-butylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-N-cyclopentyl-4-thiadiazolecarboxamide IUPAC Name: N-[(1S)-2-(tert-butylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-N-cyclopentylthiadiazole-4-carboxamide Traditional Name: N-[(1S)-2-(tert-butylamino)-2-keto-1-o-phenetyl-ethyl]-N-cyclopentyl-thiadiazole-4-carboxamide Formula: C22H30N4O3S MolecularWeight: 430.5636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(C(=O)NC(C)(C)C)N(C2CCCC2)C(=O)C3=CSN=N3

Isomeric SMILES

CCOC1=CC=CC=C1[C@@H](C(=O)NC(C)(C)C)N(C2CCCC2)C(=O)C3=CSN=N3

InChI

InChI=1S/C22H30N4O3S/c1-5-29-18-13-9-8-12-16(18)19(20(27)23-22(2,3)4)26(15-10-6-7-11-15)21(28)17-14-30-25-24-17/h8-9,12-15,19H,5-7,10-11H2,1-4H3,(H,23,27)/t19-/m0/s1