N-[(4-aminocarbonylphenyl)carbamothioyl]-2-hexoxy-benzamide

Systemtic Name: N-[(4-aminocarbonylphenyl)carbamothioyl]-2-hexoxy-benzamide Openeye Name: N-[(4-carbamoylphenyl)carbamothioyl]-2-hexoxy-benzamide CAS Name: N-[(4-carbamoylanilino)-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: N-[(4-carbamoylphenyl)carbamothioyl]-2-hexoxybenzamide Traditional Name: N-[(4-carbamoylphenyl)thiocarbamoyl]-2-hexoxy-benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C21H25N3O3S/c1-2-3-4-7-14-27-18-9-6-5-8-17(18)20(26)24-21(28)23-16-12-10-15(11-13-16)19(22)25/h5-6,8-13H,2-4,7,14H2,1H3,(H2,22,25)(H2,23,24,26,28)