S-[[2-chloranyl-4-[2-[(4-methylpiperazin-1-yl)carbonylamino]pyridin-4-yl]oxy-phenyl]carbamoylamino] 2-phenylethanethioate

Systemtic Name: S-[[2-chloranyl-4-[2-[(4-methylpiperazin-1-yl)carbonylamino]pyridin-4-yl]oxy-phenyl]carbamoylamino] 2-phenylethanethioate Openeye Name: S-[[2-chloro-4-[[2-[(4-methylpiperazine-1-carbonyl)amino]-4-pyridyl]oxy]phenyl]carbamoylamino] 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-[[[2-chloro-4-[[2-[[(4-methyl-1-piperazinyl)-oxomethyl]amino]-4-pyridinyl]oxy]anilino]-oxomethyl]amino] ester IUPAC Name: S-[[2-chloro-4-[2-[(4-methylpiperazine-1-carbonyl)amino]pyridin-4-yl]oxyphenyl]carbamoylamino] 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-[[2-chloro-4-[[2-[(4-methylpiperazine-1-carbonyl)amino]-4-pyridyl]oxy]phenyl]carbamoylamino] ester Formula: C26H27ClN6O4S MolecularWeight: 555.04838

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)NC2=NC=CC(=C2)OC3=CC(=C(C=C3)NC(=O)NSC(=O)CC4=CC=CC=C4)Cl

Isomeric SMILES

CN1CCN(CC1)C(=O)NC2=NC=CC(=C2)OC3=CC(=C(C=C3)NC(=O)NSC(=O)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C26H27ClN6O4S/c1-32-11-13-33(14-12-32)26(36)30-23-17-20(9-10-28-23)37-19-7-8-22(21(27)16-19)29-25(35)31-38-24(34)15-18-5-3-2-4-6-18/h2-10,16-17H,11-15H2,1H3,(H,28,30,36)(H2,29,31,35)