N-[[3-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-2,6-dimethoxy-benzamide

Systemtic Name: N-[[3-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-2,6-dimethoxy-benzamide Openeye Name: N-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-2,6-dimethoxy-benzamide CAS Name: N-[[3-chloro-4-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2,6-dimethoxybenzamide IUPAC Name: N-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-2,6-dimethoxybenzamide Traditional Name: N-[[3-chloro-4-(4-ethylpiperazino)phenyl]thiocarbamoyl]-2,6-dimethoxy-benzamide Formula: C22H27ClN4O3S MolecularWeight: 462.99278

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=C(C=CC=C3OC)OC)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=C(C=CC=C3OC)OC)Cl

InChI

InChI=1S/C22H27ClN4O3S/c1-4-26-10-12-27(13-11-26)17-9-8-15(14-16(17)23)24-22(31)25-21(28)20-18(29-2)6-5-7-19(20)30-3/h5-9,14H,4,10-13H2,1-3H3,(H2,24,25,28,31)