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

Systemtic Name: 2-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-N-(4-ethoxyphenyl)benzamide Openeye Name: 2-[(4-tert-butylbenzoyl)carbamothioylamino]-N-(4-ethoxyphenyl)benzamide CAS Name: 2-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-(4-ethoxyphenyl)benzamide IUPAC Name: 2-[(4-tert-butylbenzoyl)carbamothioylamino]-N-(4-ethoxyphenyl)benzamide Traditional Name: 2-[(4-tert-butylbenzoyl)thiocarbamoylamino]-N-p-phenetyl-benzamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C27H29N3O3S/c1-5-33-21-16-14-20(15-17-21)28-25(32)22-8-6-7-9-23(22)29-26(34)30-24(31)18-10-12-19(13-11-18)27(2,3)4/h6-17H,5H2,1-4H3,(H,28,32)(H2,29,30,31,34)