N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]-4-ethoxy-benzamide Openeye Name: N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-4-ethoxy-benzamide CAS Name: N-[[[(4-tert-butylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-4-ethoxybenzamide Traditional Name: N-[[(4-tert-butylbenzoyl)amino]thiocarbamoyl]-4-ethoxy-benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H25N3O3S/c1-5-27-17-12-8-14(9-13-17)18(25)22-20(28)24-23-19(26)15-6-10-16(11-7-15)21(2,3)4/h6-13H,5H2,1-4H3,(H,23,26)(H2,22,24,25,28)