N-[[3-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[3-chloranyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[3-chloro-2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[3-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[3-chloro-2-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]thiophene-2-carboxamide Formula: C20H23ClN4O2S2 MolecularWeight: 451.00522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC=CS3

InChI

InChI=1S/C20H23ClN4O2S2/c1-13(2)19(27)25-10-8-24(9-11-25)17-14(21)5-3-6-15(17)22-20(28)23-18(26)16-7-4-12-29-16/h3-7,12-13H,8-11H2,1-2H3,(H2,22,23,26,28)