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

Systemtic Name: N-[[3-chloranyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamothioyl]-2-(3,5-dimethylphenoxy)ethanamide Openeye Name: N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-2-(3,5-dimethylphenoxy)acetamide CAS Name: N-[[3-chloro-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-(3,5-dimethylphenoxy)acetamide IUPAC Name: N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-2-(3,5-dimethylphenoxy)acetamide Traditional Name: N-[[3-chloro-4-[4-(2-thenoyl)piperazino]phenyl]thiocarbamoyl]-2-(3,5-dimethylphenoxy)acetamide Formula: C26H27ClN4O3S2 MolecularWeight: 543.10058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4)Cl)C

InChI

InChI=1S/C26H27ClN4O3S2/c1-17-12-18(2)14-20(13-17)34-16-24(32)29-26(35)28-19-5-6-22(21(27)15-19)30-7-9-31(10-8-30)25(33)23-4-3-11-36-23/h3-6,11-15H,7-10,16H2,1-2H3,(H2,28,29,32,35)