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

Systemtic Name: N-(1-phenylbutyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide Openeye Name: N-(1-phenylbutyl)-2-[[5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide CAS Name: N-(1-phenylbutyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]thio]propanamide IUPAC Name: N-(1-phenylbutyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide Traditional Name: N-(1-phenylbutyl)-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4OS3/c1-3-8-18(16-9-5-4-6-10-16)23-19(26)15(2)28-21-25-24-20(29-21)22-13-12-17-11-7-14-27-17/h4-7,9-11,14-15,18H,3,8,12-13H2,1-2H3,(H,22,24)(H,23,26)