N-[4-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]phenyl]ethanamide Openeye Name: N-[4-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]phenyl]acetamide CAS Name: N-[4-[[[[(4-tert-butylphenyl)methylamino]-sulfanylidenemethyl]amino]methyl]phenyl]acetamide IUPAC Name: N-[4-[[(4-tert-butylphenyl)methylcarbamothioylamino]methyl]phenyl]acetamide Traditional Name: N-[4-[[(4-tert-butylbenzyl)thiocarbamoylamino]methyl]phenyl]acetamide Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CNC(=S)NCC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H27N3OS/c1-15(25)24-19-11-7-17(8-12-19)14-23-20(26)22-13-16-5-9-18(10-6-16)21(2,3)4/h5-12H,13-14H2,1-4H3,(H,24,25)(H2,22,23,26)