carbamothioyl 2-azanyl-2-(2-azanylpyridin-3-yl)-3-[(6-methylpyridin-2-yl)methyl]piperidine-1-carboxylate

Systemtic Name: carbamothioyl 2-azanyl-2-(2-azanylpyridin-3-yl)-3-[(6-methylpyridin-2-yl)methyl]piperidine-1-carboxylate Openeye Name: carbamothioyl 2-amino-2-(2-amino-3-pyridyl)-3-[(6-methyl-2-pyridyl)methyl]piperidine-1-carboxylate CAS Name: 2-amino-2-(2-amino-3-pyridinyl)-3-[(6-methyl-2-pyridinyl)methyl]-1-piperidinecarboxylic acid carbamothioyl ester IUPAC Name: carbamothioyl 2-amino-2-(2-aminopyridin-3-yl)-3-[(6-methylpyridin-2-yl)methyl]piperidine-1-carboxylate Traditional Name: 2-amino-2-(2-amino-3-pyridyl)-3-[(6-methyl-2-pyridyl)methyl]piperidine-1-carboxylic acid thiocarbamoyl ester Formula: C19H24N6O2S MolecularWeight: 400.49786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CC2CCCN(C2(C3=C(N=CC=C3)N)N)C(=O)OC(=S)N

Isomeric SMILES

CC1=NC(=CC=C1)CC2CCCN(C2(C3=C(N=CC=C3)N)N)C(=O)OC(=S)N

InChI

InChI=1S/C19H24N6O2S/c1-12-5-2-7-14(24-12)11-13-6-4-10-25(18(26)27-17(21)28)19(13,22)15-8-3-9-23-16(15)20/h2-3,5,7-9,13H,4,6,10-11,22H2,1H3,(H2,20,23)(H2,21,28)