N-[[3-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-dimethoxy-benzamide

Systemtic Name: N-[[3-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-dimethoxy-benzamide Openeye Name: N-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-dimethoxy-benzamide CAS Name: N-[[3-chloro-4-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3,5-dimethoxybenzamide IUPAC Name: N-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-dimethoxybenzamide Traditional Name: N-[[3-chloro-4-(4-ethylpiperazino)phenyl]thiocarbamoyl]-3,5-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=CC(=CC(=C3)OC)OC)Cl

Isomeric SMILES

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

InChI

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