2-(2-cyanophenyl)sulfanyl-N-[4-(4-ethylpiperazin-1-yl)-3-methyl-phenyl]benzamide

Systemtic Name: 2-(2-cyanophenyl)sulfanyl-N-[4-(4-ethylpiperazin-1-yl)-3-methyl-phenyl]benzamide Openeye Name: 2-(2-cyanophenyl)sulfanyl-N-[4-(4-ethylpiperazin-1-yl)-3-methyl-phenyl]benzamide CAS Name: 2-[(2-cyanophenyl)thio]-N-[4-(4-ethyl-1-piperazinyl)-3-methylphenyl]benzamide IUPAC Name: 2-(2-cyanophenyl)sulfanyl-N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]benzamide Traditional Name: 2-[(2-cyanophenyl)thio]-N-[4-(4-ethylpiperazino)-3-methyl-phenyl]benzamide Formula: C27H28N4OS MolecularWeight: 456.60242

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N)C

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N)C

InChI

InChI=1S/C27H28N4OS/c1-3-30-14-16-31(17-15-30)24-13-12-22(18-20(24)2)29-27(32)23-9-5-7-11-26(23)33-25-10-6-4-8-21(25)19-28/h4-13,18H,3,14-17H2,1-2H3,(H,29,32)