5-bromanyl-N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]-2-methoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[[[(4-tert-butylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[[(4-tert-butylbenzoyl)amino]thiocarbamoyl]-2-methoxy-benzamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C20H22BrN3O3S/c1-20(2,3)13-7-5-12(6-8-13)17(25)23-24-19(28)22-18(26)15-11-14(21)9-10-16(15)27-4/h5-11H,1-4H3,(H,23,25)(H2,22,24,26,28)