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

Systemtic Name: N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]-3-phenyl-propanamide Openeye Name: N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-3-phenyl-propanamide CAS Name: N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[[(4-hexoxybenzoyl)amino]carbamothioyl]-3-phenylpropanamide Traditional Name: N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]-3-phenyl-propionamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C23H29N3O3S/c1-2-3-4-8-17-29-20-14-12-19(13-15-20)22(28)25-26-23(30)24-21(27)16-11-18-9-6-5-7-10-18/h5-7,9-10,12-15H,2-4,8,11,16-17H2,1H3,(H,25,28)(H2,24,26,27,30)