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

Systemtic Name: 3-(2-chlorophenyl)-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]propanamide Openeye Name: 3-(2-chlorophenyl)-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]propanamide CAS Name: 3-(2-chlorophenyl)-N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]propanamide IUPAC Name: 3-(2-chlorophenyl)-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]propanamide Traditional Name: 3-(2-chlorophenyl)-N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]propionamide Formula: C23H28ClN3O3S MolecularWeight: 462.00472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2Cl

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2Cl

InChI

InChI=1S/C23H28ClN3O3S/c1-2-3-4-7-16-30-19-13-10-18(11-14-19)22(29)26-27-23(31)25-21(28)15-12-17-8-5-6-9-20(17)24/h5-6,8-11,13-14H,2-4,7,12,15-16H2,1H3,(H,26,29)(H2,25,27,28,31)