S-methyl 3-[4-[[5-(1-azanylethyl)-2-methoxy-6-methyl-pyridin-3-yl]amino]piperazin-1-yl]-5-methyl-benzenecarbothioate

Systemtic Name: S-methyl 3-[4-[[5-(1-azanylethyl)-2-methoxy-6-methyl-pyridin-3-yl]amino]piperazin-1-yl]-5-methyl-benzenecarbothioate Openeye Name: S-methyl 3-[4-[[5-(1-aminoethyl)-2-methoxy-6-methyl-3-pyridyl]amino]piperazin-1-yl]-5-methyl-benzenecarbothioate CAS Name: 3-[4-[[5-(1-aminoethyl)-2-methoxy-6-methyl-3-pyridinyl]amino]-1-piperazinyl]-5-methylbenzenecarbothioic acid S-methyl ester IUPAC Name: S-methyl 3-[4-[[5-(1-aminoethyl)-2-methoxy-6-methylpyridin-3-yl]amino]piperazin-1-yl]-5-methylbenzenecarbothioate Traditional Name: 3-[4-[[5-(1-aminoethyl)-2-methoxy-6-methyl-3-pyridyl]amino]piperazino]-5-methyl-thiobenzoic acid S-methyl ester Formula: C22H31N5O2S MolecularWeight: 429.57884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)SC)N2CCN(CC2)NC3=C(N=C(C(=C3)C(C)N)C)OC

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)SC)N2CCN(CC2)NC3=C(N=C(C(=C3)C(C)N)C)OC

InChI

InChI=1S/C22H31N5O2S/c1-14-10-17(22(28)30-5)12-18(11-14)26-6-8-27(9-7-26)25-20-13-19(15(2)23)16(3)24-21(20)29-4/h10-13,15,25H,6-9,23H2,1-5H3