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

Systemtic Name: N-[[3-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: N-[[3-chloro-2-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: N-[[3-chloro-2-(4-ethylpiperazino)phenyl]thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C22H27ClN4O2S MolecularWeight: 446.99338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN4O2S/c1-4-26-11-13-27(14-12-26)19-17(23)9-6-10-18(19)24-22(30)25-21(28)16-8-5-7-15(2)20(16)29-3/h5-10H,4,11-14H2,1-3H3,(H2,24,25,28,30)