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

Systemtic Name: N-[[3-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-isobutoxy-benzamide CAS Name: N-[[3-chloro-2-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: N-[[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: N-[[3-chloro-2-(4-ethylpiperazino)phenyl]thiocarbamoyl]-4-isobutoxy-benzamide Formula: C24H31ClN4O2S MolecularWeight: 475.04654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31ClN4O2S/c1-4-28-12-14-29(15-13-28)22-20(25)6-5-7-21(22)26-24(32)27-23(30)18-8-10-19(11-9-18)31-16-17(2)3/h5-11,17H,4,12-16H2,1-3H3,(H2,26,27,30,32)