N-[[3-chloranyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-propoxy-benzamide

Systemtic Name: N-[[3-chloranyl-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[3-chloro-4-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]-3-propoxybenzamide Traditional Name: N-[[3-chloro-4-(4-pivaloylpiperazino)phenyl]thiocarbamoyl]-3-propoxy-benzamide Formula: C26H33ClN4O3S MolecularWeight: 517.08322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C(C)(C)C)Cl

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C(C)(C)C)Cl

InChI

InChI=1S/C26H33ClN4O3S/c1-5-15-34-20-8-6-7-18(16-20)23(32)29-25(35)28-19-9-10-22(21(27)17-19)30-11-13-31(14-12-30)24(33)26(2,3)4/h6-10,16-17H,5,11-15H2,1-4H3,(H2,28,29,32,35)