N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-2-pentoxy-benzamide

Systemtic Name: N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[(4-butoxy-3-methoxy-phenyl)methylcarbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[(4-butoxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[(4-butoxy-3-methoxyphenyl)methylcarbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[(4-butoxy-3-methoxy-benzyl)thiocarbamoyl]benzamide Formula: C25H34N2O4S MolecularWeight: 458.61346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NCC2=CC(=C(C=C2)OCCCC)OC

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NCC2=CC(=C(C=C2)OCCCC)OC

InChI

InChI=1S/C25H34N2O4S/c1-4-6-10-16-30-21-12-9-8-11-20(21)24(28)27-25(32)26-18-19-13-14-22(23(17-19)29-3)31-15-7-5-2/h8-9,11-14,17H,4-7,10,15-16,18H2,1-3H3,(H2,26,27,28,32)