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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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