N-[3-[[(2,3-dimethylphenyl)carbamothioylamino]carbamoyl]phenyl]-2,2-dimethyl-propanamide

Systemtic Name: N-[3-[[(2,3-dimethylphenyl)carbamothioylamino]carbamoyl]phenyl]-2,2-dimethyl-propanamide Openeye Name: N-[3-[[(2,3-dimethylphenyl)carbamothioylamino]carbamoyl]phenyl]-2,2-dimethyl-propanamide CAS Name: N-[3-[[[(2,3-dimethylanilino)-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-2,2-dimethylpropanamide IUPAC Name: N-[3-[[(2,3-dimethylphenyl)carbamothioylamino]carbamoyl]phenyl]-2,2-dimethylpropanamide Traditional Name: N-[3-[[(2,3-dimethylphenyl)thiocarbamoylamino]carbamoyl]phenyl]-2,2-dimethyl-propionamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)NNC(=O)C2=CC(=CC=C2)NC(=O)C(C)(C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)NNC(=O)C2=CC(=CC=C2)NC(=O)C(C)(C)C)C

InChI

InChI=1S/C21H26N4O2S/c1-13-8-6-11-17(14(13)2)23-20(28)25-24-18(26)15-9-7-10-16(12-15)22-19(27)21(3,4)5/h6-12H,1-5H3,(H,22,27)(H,24,26)(H2,23,25,28)