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

Systemtic Name: S-[(5-ethyl-2-methoxy-6-methyl-pyridin-3-yl)amino] 4-(2-phenylphenyl)piperazine-1-carbothioate Openeye Name: S-[(5-ethyl-2-methoxy-6-methyl-3-pyridyl)amino] 4-(2-phenylphenyl)piperazine-1-carbothioate CAS Name: 4-(2-phenylphenyl)-1-piperazinecarbothioic acid S-[(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)amino] ester IUPAC Name: S-[(5-ethyl-2-methoxy-6-methylpyridin-3-yl)amino] 4-(2-phenylphenyl)piperazine-1-carbothioate Traditional Name: 4-(2-phenylphenyl)piperazine-1-carbothioic acid S-[(5-ethyl-2-methoxy-6-methyl-3-pyridyl)amino] ester Formula: C26H30N4O2S MolecularWeight: 462.607

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(N=C1C)OC)NSC(=O)N2CCN(CC2)C3=CC=CC=C3C4=CC=CC=C4

Isomeric SMILES

CCC1=CC(=C(N=C1C)OC)NSC(=O)N2CCN(CC2)C3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C26H30N4O2S/c1-4-20-18-23(25(32-3)27-19(20)2)28-33-26(31)30-16-14-29(15-17-30)24-13-9-8-12-22(24)21-10-6-5-7-11-21/h5-13,18,28H,4,14-17H2,1-3H3