O-[8-[(butanoylamino)methyl]naphthalen-2-yl] N-[(2-thiophen-2-ylphenyl)methyl]carbamothioate

Systemtic Name: O-[8-[(butanoylamino)methyl]naphthalen-2-yl] N-[(2-thiophen-2-ylphenyl)methyl]carbamothioate Openeye Name: O-[[8-[(butanoylamino)methyl]-2-naphthyl]] N-[[2-(2-thienyl)phenyl]methyl]carbamothioate CAS Name: N-[(2-thiophen-2-ylphenyl)methyl]carbamothioic acid O-[[8-[(1-oxobutylamino)methyl]-2-naphthalenyl]] ester IUPAC Name: O-[8-[(butanoylamino)methyl]naphthalen-2-yl] N-[(2-thiophen-2-ylphenyl)methyl]carbamothioate Traditional Name: N-[2-(2-thienyl)benzyl]thiocarbamic acid O-[[8-(butyramidomethyl)-2-naphthyl]] ester Formula: C27H26N2O2S2 MolecularWeight: 474.63754

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NCC1=CC=CC2=C1C=C(C=C2)OC(=S)NCC3=CC=CC=C3C4=CC=CS4

Isomeric SMILES

CCCC(=O)NCC1=CC=CC2=C1C=C(C=C2)OC(=S)NCC3=CC=CC=C3C4=CC=CS4

InChI

InChI=1S/C27H26N2O2S2/c1-2-7-26(30)28-17-21-10-5-9-19-13-14-22(16-24(19)21)31-27(32)29-18-20-8-3-4-11-23(20)25-12-6-15-33-25/h3-6,8-16H,2,7,17-18H2,1H3,(H,28,30)(H,29,32)