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

Systemtic Name: 3-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-N-ethyl-benzamide Openeye Name: 3-[(4-tert-butylbenzoyl)carbamothioylamino]-N-ethyl-benzamide CAS Name: 3-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-ethylbenzamide IUPAC Name: 3-[(4-tert-butylbenzoyl)carbamothioylamino]-N-ethylbenzamide Traditional Name: 3-[(4-tert-butylbenzoyl)thiocarbamoylamino]-N-ethyl-benzamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-5-22-18(25)15-7-6-8-17(13-15)23-20(27)24-19(26)14-9-11-16(12-10-14)21(2,3)4/h6-13H,5H2,1-4H3,(H,22,25)(H2,23,24,26,27)