O-[[3-[(cyclobutylcarbonylamino)methyl]-2-[(E)-3-phenylprop-2-enyl]-1-benzothiophen-5-yl]] N-phenylcarbamothioate

Systemtic Name: O-[[3-[(cyclobutylcarbonylamino)methyl]-2-[(E)-3-phenylprop-2-enyl]-1-benzothiophen-5-yl]] N-phenylcarbamothioate Openeye Name: O-[2-[(E)-cinnamyl]-3-[(cyclobutanecarbonylamino)methyl]benzothiophen-5-yl] N-phenylcarbamothioate CAS Name: N-phenylcarbamothioic acid O-[[3-[[[cyclobutyl(oxo)methyl]amino]methyl]-2-[(E)-3-phenylprop-2-enyl]-1-benzothiophen-5-yl]] ester IUPAC Name: O-[[3-[(cyclobutanecarbonylamino)methyl]-2-[(E)-3-phenylprop-2-enyl]-1-benzothiophen-5-yl]] N-phenylcarbamothioate Traditional Name: N-phenylthiocarbamic acid O-[2-[(E)-cinnamyl]-3-[(cyclobutanecarbonylamino)methyl]benzothiophen-5-yl] ester Formula: C30H28N2O2S2 MolecularWeight: 512.68552

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)NCC2=C(SC3=C2C=C(C=C3)OC(=S)NC4=CC=CC=C4)CC=CC5=CC=CC=C5

Isomeric SMILES

C1CC(C1)C(=O)NCC2=C(SC3=C2C=C(C=C3)OC(=S)NC4=CC=CC=C4)C/C=C/C5=CC=CC=C5

InChI

InChI=1S/C30H28N2O2S2/c33-29(22-12-8-13-22)31-20-26-25-19-24(34-30(35)32-23-14-5-2-6-15-23)17-18-28(25)36-27(26)16-7-11-21-9-3-1-4-10-21/h1-7,9-11,14-15,17-19,22H,8,12-13,16,20H2,(H,31,33)(H,32,35)/b11-7+