2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-N-(piperazin-1-ylmethyl)benzamide

Systemtic Name: 2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-N-(piperazin-1-ylmethyl)benzamide Openeye Name: 2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-N-(piperazin-1-ylmethyl)benzamide CAS Name: 2-[(2,3,4,5,6-pentamethylphenyl)methylthio]-N-(1-piperazinylmethyl)benzamide IUPAC Name: 2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-N-(piperazin-1-ylmethyl)benzamide Traditional Name: 2-[(2,3,4,5,6-pentamethylbenzyl)thio]-N-(piperazinomethyl)benzamide Formula: C24H33N3OS MolecularWeight: 411.60332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)CSC2=CC=CC=C2C(=O)NCN3CCNCC3)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)CSC2=CC=CC=C2C(=O)NCN3CCNCC3)C)C

InChI

InChI=1S/C24H33N3OS/c1-16-17(2)19(4)22(20(5)18(16)3)14-29-23-9-7-6-8-21(23)24(28)26-15-27-12-10-25-11-13-27/h6-9,25H,10-15H2,1-5H3,(H,26,28)