S-[2-[[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl-phenethyl-amino]ethyl] pyridine-3-carbothioate

Systemtic Name: S-[2-[[1-(4-methylpiperazin-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl-phenethyl-amino]ethyl] pyridine-3-carbothioate Openeye Name: S-[2-[[1-benzyl-2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]carbamoyl-phenethyl-amino]ethyl] pyridine-3-carbothioate CAS Name: 3-pyridinecarbothioic acid S-[2-[[[[1-(4-methyl-1-piperazinyl)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-phenethylamino]ethyl] ester IUPAC Name: S-[2-[[1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamoyl-phenethylamino]ethyl] pyridine-3-carbothioate Traditional Name: pyridine-3-carbothioic acid S-[2-[[1-benzyl-2-keto-2-(4-methylpiperazino)ethyl]carbamoyl-phenethyl-amino]ethyl] ester Formula: C31H37N5O3S MolecularWeight: 559.72218

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C(CC2=CC=CC=C2)NC(=O)N(CCC3=CC=CC=C3)CCSC(=O)C4=CN=CC=C4

Isomeric SMILES

CN1CCN(CC1)C(=O)C(CC2=CC=CC=C2)NC(=O)N(CCC3=CC=CC=C3)CCSC(=O)C4=CN=CC=C4

InChI

InChI=1S/C31H37N5O3S/c1-34-17-19-35(20-18-34)29(37)28(23-26-11-6-3-7-12-26)33-31(39)36(16-14-25-9-4-2-5-10-25)21-22-40-30(38)27-13-8-15-32-24-27/h2-13,15,24,28H,14,16-23H2,1H3,(H,33,39)