N-(3,4-dimethylphenyl)-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(3,4-dimethylphenyl)-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbothioamide Openeye Name: N-(3,4-dimethylphenyl)-4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbothioamide CAS Name: N-(3,4-dimethylphenyl)-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(3,4-dimethylphenyl)-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbothioamide Traditional Name: N-(3,4-dimethylphenyl)-4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbothioamide Formula: C20H23N5OS2 MolecularWeight: 413.55952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)CC3=NC(=NO3)C4=CC=CS4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)CC3=NC(=NO3)C4=CC=CS4)C

InChI

InChI=1S/C20H23N5OS2/c1-14-5-6-16(12-15(14)2)21-20(27)25-9-7-24(8-10-25)13-18-22-19(23-26-18)17-4-3-11-28-17/h3-6,11-12H,7-10,13H2,1-2H3,(H,21,27)