2-[(4-tert-butylphenyl)carbonylcarbamothioyl-methyl-amino]-N-phenethyl-benzamide

Systemtic Name: 2-[(4-tert-butylphenyl)carbonylcarbamothioyl-methyl-amino]-N-phenethyl-benzamide Openeye Name: 2-[(4-tert-butylbenzoyl)carbamothioyl-methyl-amino]-N-phenethyl-benzamide CAS Name: 2-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-methylamino]-N-phenethylbenzamide IUPAC Name: 2-[(4-tert-butylbenzoyl)carbamothioyl-methylamino]-N-phenethylbenzamide Traditional Name: 2-[(4-tert-butylbenzoyl)thiocarbamoyl-methyl-amino]-N-phenethyl-benzamide Formula: C28H31N3O2S MolecularWeight: 473.62964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)N(C)C2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C28H31N3O2S/c1-28(2,3)22-16-14-21(15-17-22)25(32)30-27(34)31(4)24-13-9-8-12-23(24)26(33)29-19-18-20-10-6-5-7-11-20/h5-17H,18-19H2,1-4H3,(H,29,33)(H,30,32,34)