2-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-N-phenethyl-benzamide

Systemtic Name: 2-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-N-phenethyl-benzamide Openeye Name: 2-[(4-tert-butylbenzoyl)carbamothioylamino]-N-phenethyl-benzamide CAS Name: 2-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[(4-tert-butylbenzoyl)carbamothioylamino]-N-phenethylbenzamide Traditional Name: 2-[(4-tert-butylbenzoyl)thiocarbamoylamino]-N-phenethyl-benzamide Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C27H29N3O2S/c1-27(2,3)21-15-13-20(14-16-21)24(31)30-26(33)29-23-12-8-7-11-22(23)25(32)28-18-17-19-9-5-4-6-10-19/h4-16H,17-18H2,1-3H3,(H,28,32)(H2,29,30,31,33)