N-[2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]phenyl]piperazine-1-carboxamide

Systemtic Name: N-[2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]phenyl]piperazine-1-carboxamide Openeye Name: N-[2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]phenyl]piperazine-1-carboxamide CAS Name: N-[2-[(2,3,4,5,6-pentamethylphenyl)methylthio]phenyl]-1-piperazinecarboxamide IUPAC Name: N-[2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]phenyl]piperazine-1-carboxamide Traditional Name: N-[2-[(2,3,4,5,6-pentamethylbenzyl)thio]phenyl]piperazine-1-carboxamide Formula: C23H31N3OS MolecularWeight: 397.57674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)CSC2=CC=CC=C2NC(=O)N3CCNCC3)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)CSC2=CC=CC=C2NC(=O)N3CCNCC3)C)C

InChI

InChI=1S/C23H31N3OS/c1-15-16(2)18(4)20(19(5)17(15)3)14-28-22-9-7-6-8-21(22)25-23(27)26-12-10-24-11-13-26/h6-9,24H,10-14H2,1-5H3,(H,25,27)