N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]thiophene-2-carboxamide Formula: C20H24N4O2S2 MolecularWeight: 416.56016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CS3

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CS3

InChI

InChI=1S/C20H24N4O2S2/c1-2-4-18(25)24-12-10-23(11-13-24)16-8-6-15(7-9-16)21-20(27)22-19(26)17-5-3-14-28-17/h3,5-9,14H,2,4,10-13H2,1H3,(H2,21,22,26,27)