phosphoric acid; S-(2-piperidin-1-ylethyl) 4-azanylbenzenecarbothioate

Systemtic Name: phosphoric acid; S-(2-piperidin-1-ylethyl) 4-azanylbenzenecarbothioate Openeye Name: phosphoric acid; S-[2-(1-piperidyl)ethyl] 4-aminobenzenecarbothioate CAS Name: 4-aminobenzenecarbothioic acid S-[2-(1-piperidinyl)ethyl] ester; phosphoric acid IUPAC Name: phosphoric acid; S-(2-piperidin-1-ylethyl) 4-aminobenzenecarbothioate Traditional Name: 4-aminothiobenzoic acid S-(2-piperidinoethyl) ester; phosphoric acid Formula: C14H23N2O5PS MolecularWeight: 362.381581

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCSC(=O)C2=CC=C(C=C2)N.OP(=O)(O)O

Isomeric SMILES

C1CCN(CC1)CCSC(=O)C2=CC=C(C=C2)N.OP(=O)(O)O

InChI

InChI=1S/C14H20N2OS.H3O4P/c15-13-6-4-12(5-7-13)14(17)18-11-10-16-8-2-1-3-9-16;1-5(2,3)4/h4-7H,1-3,8-11,15H2;(H3,1,2,3,4)