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

Systemtic Name: S-methyl 1-[(5-ethyl-2-methoxy-6-methyl-pyridin-3-yl)amino]-4-(2-phenylphenyl)piperazine-2-carbothioate Openeye Name: S-methyl 1-[(5-ethyl-2-methoxy-6-methyl-3-pyridyl)amino]-4-(2-phenylphenyl)piperazine-2-carbothioate CAS Name: 1-[(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)amino]-4-(2-phenylphenyl)-2-piperazinecarbothioic acid S-methyl ester IUPAC Name: S-methyl 1-[(5-ethyl-2-methoxy-6-methylpyridin-3-yl)amino]-4-(2-phenylphenyl)piperazine-2-carbothioate Traditional Name: 1-[(5-ethyl-2-methoxy-6-methyl-3-pyridyl)amino]-4-(2-phenylphenyl)piperazine-2-carbothioic acid S-methyl ester Formula: C27H32N4O2S MolecularWeight: 476.63358

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(N=C1C)OC)NN2CCN(CC2C(=O)SC)C3=CC=CC=C3C4=CC=CC=C4

Isomeric SMILES

CCC1=CC(=C(N=C1C)OC)NN2CCN(CC2C(=O)SC)C3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C27H32N4O2S/c1-5-20-17-23(26(33-3)28-19(20)2)29-31-16-15-30(18-25(31)27(32)34-4)24-14-10-9-13-22(24)21-11-7-6-8-12-21/h6-14,17,25,29H,5,15-16,18H2,1-4H3