O-[(5S)-5-azanylheptan-3-yl] 4-azanylbenzenecarbothioate; phosphoric acid

Systemtic Name: O-[(5S)-5-azanylheptan-3-yl] 4-azanylbenzenecarbothioate; phosphoric acid Openeye Name: O-[(3S)-3-amino-1-ethyl-pentyl] 4-aminobenzenecarbothioate; phosphoric acid CAS Name: 4-aminobenzenecarbothioic acid O-[(5S)-5-aminoheptan-3-yl] ester; phosphoric acid IUPAC Name: O-[(5S)-5-aminoheptan-3-yl] 4-aminobenzenecarbothioate; phosphoric acid Traditional Name: 4-aminothiobenzoic acid O-[(3S)-3-amino-1-ethyl-pentyl] ester; phosphoric acid Formula: C14H25N2O5PS MolecularWeight: 364.397461

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC)OC(=S)C1=CC=C(C=C1)N)N.OP(=O)(O)O

Isomeric SMILES

CC[C@@H](CC(CC)OC(=S)C1=CC=C(C=C1)N)N.OP(=O)(O)O

InChI

InChI=1S/C14H22N2OS.H3O4P/c1-3-11(15)9-13(4-2)17-14(18)10-5-7-12(16)8-6-10;1-5(2,3)4/h5-8,11,13H,3-4,9,15-16H2,1-2H3;(H3,1,2,3,4)/t11-,13?;/m0./s1