N-[[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]carbamothioyl]-2-(3,5-dimethylphenoxy)ethanamide

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]carbamothioyl]-2-(3,5-dimethylphenoxy)ethanamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]carbamothioyl]-2-(3,5-dimethylphenoxy)acetamide CAS Name: N-[[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-(3,5-dimethylphenoxy)acetamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2-(3,5-dimethylphenoxy)acetamide Traditional Name: N-[[4-(4-butyrylpiperazino)-3-chloro-phenyl]thiocarbamoyl]-2-(3,5-dimethylphenoxy)acetamide Formula: C25H31ClN4O3S MolecularWeight: 503.05664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)COC3=CC(=CC(=C3)C)C)Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)COC3=CC(=CC(=C3)C)C)Cl

InChI

InChI=1S/C25H31ClN4O3S/c1-4-5-24(32)30-10-8-29(9-11-30)22-7-6-19(15-21(22)26)27-25(34)28-23(31)16-33-20-13-17(2)12-18(3)14-20/h6-7,12-15H,4-5,8-11,16H2,1-3H3,(H2,27,28,31,34)