[2-(hexadecylamino)-2-oxidanylidene-ethyl] N,N-bis(2-cyanoethyl)carbamodithioate

Systemtic Name: [2-(hexadecylamino)-2-oxidanylidene-ethyl] N,N-bis(2-cyanoethyl)carbamodithioate Openeye Name: [2-(hexadecylamino)-2-oxo-ethyl] N,N-bis(2-cyanoethyl)carbamodithioate CAS Name: N,N-bis(2-cyanoethyl)carbamodithioic acid [2-(hexadecylamino)-2-oxoethyl] ester IUPAC Name: [2-(hexadecylamino)-2-oxoethyl] N,N-bis(2-cyanoethyl)carbamodithioate Traditional Name: N,N-bis(2-cyanoethyl)carbamodithioic acid [2-(cetylamino)-2-keto-ethyl] ester Formula: C25H44N4OS2 MolecularWeight: 480.77306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=O)CSC(=S)N(CCC#N)CCC#N

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=O)CSC(=S)N(CCC#N)CCC#N

InChI

InChI=1S/C25H44N4OS2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-28-24(30)23-32-25(31)29(21-16-18-26)22-17-19-27/h2-17,20-23H2,1H3,(H,28,30)