3-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-N-(1-phenylethyl)benzamide

Systemtic Name: 3-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-N-(1-phenylethyl)benzamide Openeye Name: 3-[(4-tert-butylbenzoyl)carbamothioylamino]-N-(1-phenylethyl)benzamide CAS Name: 3-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-(1-phenylethyl)benzamide IUPAC Name: 3-[(4-tert-butylbenzoyl)carbamothioylamino]-N-(1-phenylethyl)benzamide Traditional Name: 3-[(4-tert-butylbenzoyl)thiocarbamoylamino]-N-(1-phenylethyl)benzamide Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C27H29N3O2S/c1-18(19-9-6-5-7-10-19)28-25(32)21-11-8-12-23(17-21)29-26(33)30-24(31)20-13-15-22(16-14-20)27(2,3)4/h5-18H,1-4H3,(H,28,32)(H2,29,30,31,33)