2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-N-phenethyl-benzamide

Systemtic Name: 2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-N-phenethyl-benzamide Openeye Name: 2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-N-phenethyl-benzamide CAS Name: 2-[(2,3,4,5,6-pentamethylphenyl)methylthio]-N-phenethylbenzamide IUPAC Name: 2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]-N-phenethylbenzamide Traditional Name: 2-[(2,3,4,5,6-pentamethylbenzyl)thio]-N-phenethyl-benzamide Formula: C27H31NOS MolecularWeight: 417.60614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)CSC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)CSC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3)C)C

InChI

InChI=1S/C27H31NOS/c1-18-19(2)21(4)25(22(5)20(18)3)17-30-26-14-10-9-13-24(26)27(29)28-16-15-23-11-7-6-8-12-23/h6-14H,15-17H2,1-5H3,(H,28,29)