3-(2-chlorophenyl)-N-[[[4-(3-methylbutoxy)phenyl]carbonylamino]carbamothioyl]propanamide

Systemtic Name: 3-(2-chlorophenyl)-N-[[[4-(3-methylbutoxy)phenyl]carbonylamino]carbamothioyl]propanamide Openeye Name: 3-(2-chlorophenyl)-N-[[(4-isopentyloxybenzoyl)amino]carbamothioyl]propanamide CAS Name: 3-(2-chlorophenyl)-N-[[[[4-(3-methylbutoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]propanamide IUPAC Name: 3-(2-chlorophenyl)-N-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioyl]propanamide Traditional Name: 3-(2-chlorophenyl)-N-[[(4-isoamoxybenzoyl)amino]thiocarbamoyl]propionamide Formula: C22H26ClN3O3S MolecularWeight: 447.97814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2Cl

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2Cl

InChI

InChI=1S/C22H26ClN3O3S/c1-15(2)13-14-29-18-10-7-17(8-11-18)21(28)25-26-22(30)24-20(27)12-9-16-5-3-4-6-19(16)23/h3-8,10-11,15H,9,12-14H2,1-2H3,(H,25,28)(H2,24,26,27,30)