N-[[3-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-2-phenoxy-ethanamide

Systemtic Name: N-[[3-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[[3-chloro-4-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[[3-chloro-4-(4-ethylpiperazino)phenyl]thiocarbamoyl]-2-phenoxy-acetamide Formula: C21H25ClN4O2S MolecularWeight: 432.9668

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)COC3=CC=CC=C3)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)COC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H25ClN4O2S/c1-2-25-10-12-26(13-11-25)19-9-8-16(14-18(19)22)23-21(29)24-20(27)15-28-17-6-4-3-5-7-17/h3-9,14H,2,10-13,15H2,1H3,(H2,23,24,27,29)