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

Systemtic Name: N-[(1S)-2-(tert-butylamino)-1-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-N-cyclopentyl-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[(1S)-2-(tert-butylamino)-1-(3-methoxyphenyl)-2-oxo-ethyl]-N-cyclopentyl-thiadiazole-4-carboxamide CAS Name: N-[(1S)-2-(tert-butylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-cyclopentyl-4-thiadiazolecarboxamide IUPAC Name: N-[(1S)-2-(tert-butylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-cyclopentylthiadiazole-4-carboxamide Traditional Name: N-[(1S)-2-(tert-butylamino)-2-keto-1-(3-methoxyphenyl)ethyl]-N-cyclopentyl-thiadiazole-4-carboxamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C(C1=CC(=CC=C1)OC)N(C2CCCC2)C(=O)C3=CSN=N3

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O3S/c1-21(2,3)22-19(26)18(14-8-7-11-16(12-14)28-4)25(15-9-5-6-10-15)20(27)17-13-29-24-23-17/h7-8,11-13,15,18H,5-6,9-10H2,1-4H3,(H,22,26)/t18-/m0/s1