4-tert-butyl-N-[[3-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[[3-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[3-chloro-4-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[[3-chloro-4-(4-ethylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C24H31ClN4OS MolecularWeight: 459.04714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31ClN4OS/c1-5-28-12-14-29(15-13-28)21-11-10-19(16-20(21)25)26-23(31)27-22(30)17-6-8-18(9-7-17)24(2,3)4/h6-11,16H,5,12-15H2,1-4H3,(H2,26,27,30,31)