S-(2-methoxy-1-phenylmethoxy-henicosan-3-yl) carbamothioate

Systemtic Name: S-(2-methoxy-1-phenylmethoxy-henicosan-3-yl) carbamothioate Openeye Name: S-[1-(2-benzyloxy-1-methoxy-ethyl)nonadecyl] carbamothioate CAS Name: carbamothioic acid S-(2-methoxy-1-phenylmethoxyheneicosan-3-yl) ester IUPAC Name: S-(2-methoxy-1-phenylmethoxyhenicosan-3-yl) carbamothioate Traditional Name: thiocarbamic acid S-[1-(2-benzoxy-1-methoxy-ethyl)nonadecyl] ester Formula: C30H53NO3S MolecularWeight: 507.81172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C(COCC1=CC=CC=C1)OC)SC(=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C(COCC1=CC=CC=C1)OC)SC(=O)N

InChI

InChI=1S/C30H53NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-29(35-30(31)32)28(33-2)26-34-25-27-22-19-18-20-23-27/h18-20,22-23,28-29H,3-17,21,24-26H2,1-2H3,(H2,31,32)