N-(4-tert-butylphenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

Systemtic Name: N-(4-tert-butylphenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide Openeye Name: N-(4-tert-butylphenyl)-2-[[5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide CAS Name: N-(4-tert-butylphenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]thio]propanamide IUPAC Name: N-(4-tert-butylphenyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide Traditional Name: N-(4-tert-butylphenyl)-2-[[5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]thio]propionamide Formula: C21H26N4OS3 MolecularWeight: 446.65234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)SC2=NN=C(S2)NCCC3=CC=CS3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)SC2=NN=C(S2)NCCC3=CC=CS3

InChI

InChI=1S/C21H26N4OS3/c1-14(18(26)23-16-9-7-15(8-10-16)21(2,3)4)28-20-25-24-19(29-20)22-12-11-17-6-5-13-27-17/h5-10,13-14H,11-12H2,1-4H3,(H,22,24)(H,23,26)