N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]furan-2-carboxamide CAS Name: N-[[4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: N-[[4-(4-isobutyrylpiperazino)phenyl]thiocarbamoyl]-2-furamide Formula: C20H24N4O3S MolecularWeight: 400.49456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CO3

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CO3

InChI

InChI=1S/C20H24N4O3S/c1-14(2)19(26)24-11-9-23(10-12-24)16-7-5-15(6-8-16)21-20(28)22-18(25)17-4-3-13-27-17/h3-8,13-14H,9-12H2,1-2H3,(H2,21,22,25,28)