N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]-3-(2-chlorophenyl)propanamide

Systemtic Name: N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]-3-(2-chlorophenyl)propanamide Openeye Name: N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-3-(2-chlorophenyl)propanamide CAS Name: N-[[[(4-tert-butylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-(2-chlorophenyl)propanamide IUPAC Name: N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-3-(2-chlorophenyl)propanamide Traditional Name: N-[[(4-tert-butylbenzoyl)amino]thiocarbamoyl]-3-(2-chlorophenyl)propionamide Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2Cl

InChI

InChI=1S/C21H24ClN3O2S/c1-21(2,3)16-11-8-15(9-12-16)19(27)24-25-20(28)23-18(26)13-10-14-6-4-5-7-17(14)22/h4-9,11-12H,10,13H2,1-3H3,(H,24,27)(H2,23,25,26,28)