ethane; S-piperidin-1-yl 4-azanylbenzenecarbothioate; phosphate

Systemtic Name: ethane; S-piperidin-1-yl 4-azanylbenzenecarbothioate; phosphate Openeye Name: ethane; S-(1-piperidyl) 4-aminobenzenecarbothioate; phosphate CAS Name: 4-aminobenzenecarbothioic acid S-(1-piperidinyl) ester; ethane; phosphate IUPAC Name: ethane; S-piperidin-1-yl 4-aminobenzenecarbothioate; phosphate Traditional Name: 4-aminothiobenzoic acid S-piperidino ester; ethane; phosphate Formula: C14H22N2O5PS-3 MolecularWeight: 361.373641

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Descriptors Computed from Structure

Canonical SMILES:

CC.C1CCN(CC1)SC(=O)C2=CC=C(C=C2)N.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CC.C1CCN(CC1)SC(=O)C2=CC=C(C=C2)N.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C12H16N2OS.C2H6.H3O4P/c13-11-6-4-10(5-7-11)12(15)16-14-8-2-1-3-9-14;1-2;1-5(2,3)4/h4-7H,1-3,8-9,13H2;1-2H3;(H3,1,2,3,4)/p-3