O-[8-[(heptanoylamino)methyl]naphthalen-2-yl] N-propylcarbamothioate

Systemtic Name: O-[8-[(heptanoylamino)methyl]naphthalen-2-yl] N-propylcarbamothioate Openeye Name: O-[[8-[(heptanoylamino)methyl]-2-naphthyl]] N-propylcarbamothioate CAS Name: N-propylcarbamothioic acid O-[[8-[(1-oxoheptylamino)methyl]-2-naphthalenyl]] ester IUPAC Name: O-[8-[(heptanoylamino)methyl]naphthalen-2-yl] N-propylcarbamothioate Traditional Name: N-propylthiocarbamic acid O-[[8-[(enanthylamino)methyl]-2-naphthyl]] ester Formula: C22H30N2O2S MolecularWeight: 386.5508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NCC1=CC=CC2=C1C=C(C=C2)OC(=S)NCCC

Isomeric SMILES

CCCCCCC(=O)NCC1=CC=CC2=C1C=C(C=C2)OC(=S)NCCC

InChI

InChI=1S/C22H30N2O2S/c1-3-5-6-7-11-21(25)24-16-18-10-8-9-17-12-13-19(15-20(17)18)26-22(27)23-14-4-2/h8-10,12-13,15H,3-7,11,14,16H2,1-2H3,(H,23,27)(H,24,25)