S-[4-(diethylamino)butyl] 4-azanyl-2-methoxy-benzenecarbothioate; phosphoric acid

Systemtic Name: S-[4-(diethylamino)butyl] 4-azanyl-2-methoxy-benzenecarbothioate; phosphoric acid Openeye Name: S-[4-(diethylamino)butyl] 4-amino-2-methoxy-benzenecarbothioate; phosphoric acid CAS Name: 4-amino-2-methoxybenzenecarbothioic acid S-[4-(diethylamino)butyl] ester; phosphoric acid IUPAC Name: S-[4-(diethylamino)butyl] 4-amino-2-methoxybenzenecarbothioate; phosphoric acid Traditional Name: 4-amino-2-methoxy-thiobenzoic acid S-[4-(diethylamino)butyl] ester; phosphoric acid Formula: C16H29N2O6PS MolecularWeight: 408.450021

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCCSC(=O)C1=C(C=C(C=C1)N)OC.OP(=O)(O)O

Isomeric SMILES

CCN(CC)CCCCSC(=O)C1=C(C=C(C=C1)N)OC.OP(=O)(O)O

InChI

InChI=1S/C16H26N2O2S.H3O4P/c1-4-18(5-2)10-6-7-11-21-16(19)14-9-8-13(17)12-15(14)20-3;1-5(2,3)4/h8-9,12H,4-7,10-11,17H2,1-3H3;(H3,1,2,3,4)