S-(2-diethylaminoethyl) N,N-diphenylcarbamothioate; naphthalene-1,5-disulfonic acid

Systemtic Name: S-(2-diethylaminoethyl) N,N-diphenylcarbamothioate; naphthalene-1,5-disulfonic acid Openeye Name: S-(2-diethylaminoethyl) N,N-diphenylcarbamothioate; naphthalene-1,5-disulfonic acid CAS Name: N,N-diphenylcarbamothioic acid S-(2-diethylaminoethyl) ester; naphthalene-1,5-disulfonic acid IUPAC Name: S-(2-diethylaminoethyl) N,N-diphenylcarbamothioate; naphthalene-1,5-disulfonic acid Traditional Name: N,N-diphenylthiocarbamic acid S-(2-diethylaminoethyl) ester; naphthalene-1,5-disulfonic acid Formula: C29H32N2O7S3 MolecularWeight: 616.76858

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O

Isomeric SMILES

CCN(CC)CCSC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O

InChI

InChI=1S/C19H24N2OS.C10H8O6S2/c1-3-20(4-2)15-16-23-19(22)21(17-11-7-5-8-12-17)18-13-9-6-10-14-18;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h5-14H,3-4,15-16H2,1-2H3;1-6H,(H,11,12,13)(H,14,15,16)