S-methyl 4-[[5-(1-azanylethyl)-2-methoxy-6-methyl-pyridin-3-yl]amino]-2-(3-chlorophenyl)piperazine-1-carbothioate

Systemtic Name: S-methyl 4-[[5-(1-azanylethyl)-2-methoxy-6-methyl-pyridin-3-yl]amino]-2-(3-chlorophenyl)piperazine-1-carbothioate Openeye Name: S-methyl 4-[[5-(1-aminoethyl)-2-methoxy-6-methyl-3-pyridyl]amino]-2-(3-chlorophenyl)piperazine-1-carbothioate CAS Name: 4-[[5-(1-aminoethyl)-2-methoxy-6-methyl-3-pyridinyl]amino]-2-(3-chlorophenyl)-1-piperazinecarbothioic acid S-methyl ester IUPAC Name: S-methyl 4-[[5-(1-aminoethyl)-2-methoxy-6-methylpyridin-3-yl]amino]-2-(3-chlorophenyl)piperazine-1-carbothioate Traditional Name: 4-[[5-(1-aminoethyl)-2-methoxy-6-methyl-3-pyridyl]amino]-2-(3-chlorophenyl)piperazine-1-carbothioic acid S-methyl ester Formula: C21H28ClN5O2S MolecularWeight: 449.99732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1C(C)N)NN2CCN(C(C2)C3=CC(=CC=C3)Cl)C(=O)SC)OC

Isomeric SMILES

CC1=NC(=C(C=C1C(C)N)NN2CCN(C(C2)C3=CC(=CC=C3)Cl)C(=O)SC)OC

InChI

InChI=1S/C21H28ClN5O2S/c1-13(23)17-11-18(20(29-3)24-14(17)2)25-26-8-9-27(21(28)30-4)19(12-26)15-6-5-7-16(22)10-15/h5-7,10-11,13,19,25H,8-9,12,23H2,1-4H3