N-[(cyclohexylcarbonylamino)carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: N-[(cyclohexylcarbonylamino)carbamothioyl]-4-hexoxy-benzamide Openeye Name: N-[(cyclohexanecarbonylamino)carbamothioyl]-4-hexoxy-benzamide CAS Name: N-[[[cyclohexyl(oxo)methyl]hydrazo]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: N-[(cyclohexanecarbonylamino)carbamothioyl]-4-hexoxybenzamide Traditional Name: N-[(cyclohexanecarbonylamino)thiocarbamoyl]-4-hexoxy-benzamide Formula: C21H31N3O3S MolecularWeight: 405.55414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2CCCCC2

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2CCCCC2

InChI

InChI=1S/C21H31N3O3S/c1-2-3-4-8-15-27-18-13-11-17(12-14-18)19(25)22-21(28)24-23-20(26)16-9-6-5-7-10-16/h11-14,16H,2-10,15H2,1H3,(H,23,26)(H2,22,24,25,28)