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

Systemtic Name: N-[[[4-(3-methylbutoxy)phenyl]carbonylamino]carbamothioyl]-3-phenyl-propanamide Openeye Name: N-[[(4-isopentyloxybenzoyl)amino]carbamothioyl]-3-phenyl-propanamide CAS Name: N-[[[[4-(3-methylbutoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioyl]-3-phenylpropanamide Traditional Name: N-[[(4-isoamoxybenzoyl)amino]thiocarbamoyl]-3-phenyl-propionamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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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=C2

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C22H27N3O3S/c1-16(2)14-15-28-19-11-9-18(10-12-19)21(27)24-25-22(29)23-20(26)13-8-17-6-4-3-5-7-17/h3-7,9-12,16H,8,13-15H2,1-2H3,(H,24,27)(H2,23,25,26,29)