2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]ethanamide

Systemtic Name: 2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]ethanamide Openeye Name: 2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide CAS Name: 2-[[2-(3-methylanilino)-2-oxoethyl]thio]-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]acetamide IUPAC Name: 2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide Traditional Name: 2-[[2-keto-2-(m-toluidino)ethyl]thio]-N-[3-[4-(2-pyrimidyl)piperazino]propyl]acetamide Formula: C22H30N6O2S MolecularWeight: 442.5776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NCCCN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NCCCN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C22H30N6O2S/c1-18-5-2-6-19(15-18)26-21(30)17-31-16-20(29)23-9-4-10-27-11-13-28(14-12-27)22-24-7-3-8-25-22/h2-3,5-8,15H,4,9-14,16-17H2,1H3,(H,23,29)(H,26,30)