N-[[3-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-phenylmethoxy-benzamide

Systemtic Name: N-[[3-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: N-[[3-chloro-2-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-4-phenylmethoxybenzamide IUPAC Name: N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[[3-chloro-2-(4-ethylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C27H29ClN4O2S MolecularWeight: 509.06276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H29ClN4O2S/c1-2-31-15-17-32(18-16-31)25-23(28)9-6-10-24(25)29-27(35)30-26(33)21-11-13-22(14-12-21)34-19-20-7-4-3-5-8-20/h3-14H,2,15-19H2,1H3,(H2,29,30,33,35)