methyl N-[[2-(tridecylideneamino)phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-(tridecylideneamino)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-(tridecylideneamino)phenyl]carbamothioyl]carbamate CAS Name: N-[sulfanylidene-[2-(tridecylideneamino)anilino]methyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-(tridecylideneamino)phenyl]carbamothioyl]carbamate Traditional Name: N-[[2-(tridecylideneamino)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C22H35N3O2S MolecularWeight: 405.5972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=NC1=CC=CC=C1NC(=S)NC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCC=NC1=CC=CC=C1NC(=S)NC(=O)OC

InChI

InChI=1S/C22H35N3O2S/c1-3-4-5-6-7-8-9-10-11-12-15-18-23-19-16-13-14-17-20(19)24-21(28)25-22(26)27-2/h13-14,16-18H,3-12,15H2,1-2H3,(H2,24,25,26,28)