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

Systemtic Name: methyl N-[[2-(dodecylamino)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-(dodecylamino)phenyl]carbamothioyl]carbamate CAS Name: N-[[2-(dodecylamino)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-(dodecylamino)phenyl]carbamothioyl]carbamate Traditional Name: N-[[2-(laurylamino)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C21H35N3O2S MolecularWeight: 393.5865

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC1=CC=CC=C1NC(=S)NC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCNC1=CC=CC=C1NC(=S)NC(=O)OC

InChI

InChI=1S/C21H35N3O2S/c1-3-4-5-6-7-8-9-10-11-14-17-22-18-15-12-13-16-19(18)23-20(27)24-21(25)26-2/h12-13,15-16,22H,3-11,14,17H2,1-2H3,(H2,23,24,25,27)