[2-[4-[3-(3-imidazol-1-ylpropylcarbamoyl)-6-methyl-pyridin-2-yl]piperidin-1-yl]-2-oxidanylidene-ethyl] N,N-dimethylcarbamodithioate

Systemtic Name: [2-[4-[3-(3-imidazol-1-ylpropylcarbamoyl)-6-methyl-pyridin-2-yl]piperidin-1-yl]-2-oxidanylidene-ethyl] N,N-dimethylcarbamodithioate Openeye Name: [2-[4-[3-(3-imidazol-1-ylpropylcarbamoyl)-6-methyl-2-pyridyl]-1-piperidyl]-2-oxo-ethyl] N,N-dimethylcarbamodithioate CAS Name: N,N-dimethylcarbamodithioic acid [2-[4-[3-[[3-(1-imidazolyl)propylamino]-oxomethyl]-6-methyl-2-pyridinyl]-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[3-(3-imidazol-1-ylpropylcarbamoyl)-6-methylpyridin-2-yl]piperidin-1-yl]-2-oxoethyl] N,N-dimethylcarbamodithioate Traditional Name: N,N-dimethylcarbamodithioic acid [2-[4-[3-(3-imidazol-1-ylpropylcarbamoyl)-6-methyl-2-pyridyl]piperidino]-2-keto-ethyl] ester Formula: C23H32N6O2S2 MolecularWeight: 488.66918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)NCCCN2C=CN=C2)C3CCN(CC3)C(=O)CSC(=S)N(C)C

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NCCCN2C=CN=C2)C3CCN(CC3)C(=O)CSC(=S)N(C)C

InChI

InChI=1S/C23H32N6O2S2/c1-17-5-6-19(22(31)25-9-4-11-28-14-10-24-16-28)21(26-17)18-7-12-29(13-8-18)20(30)15-33-23(32)27(2)3/h5-6,10,14,16,18H,4,7-9,11-13,15H2,1-3H3,(H,25,31)