methyl N-[(2-hexadecoxy-5-methoxy-phenyl)carbonylamino]carbamodithioate

Systemtic Name: methyl N-[(2-hexadecoxy-5-methoxy-phenyl)carbonylamino]carbamodithioate Openeye Name: methyl N-[(2-hexadecoxy-5-methoxy-benzoyl)amino]carbamodithioate CAS Name: N-[[(2-hexadecoxy-5-methoxyphenyl)-oxomethyl]amino]carbamodithioic acid methyl ester IUPAC Name: methyl N-[(2-hexadecoxy-5-methoxybenzoyl)amino]carbamodithioate Traditional Name: N-[(2-cetyloxy-5-methoxy-benzoyl)amino]carbamodithioic acid methyl ester Formula: C26H44N2O3S2 MolecularWeight: 496.76916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)OC)C(=O)NNC(=S)SC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)OC)C(=O)NNC(=S)SC

InChI

InChI=1S/C26H44N2O3S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-31-24-19-18-22(30-2)21-23(24)25(29)27-28-26(32)33-3/h18-19,21H,4-17,20H2,1-3H3,(H,27,29)(H,28,32)