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

Systemtic Name: S-[[2-chloranyl-4-[2-[(1-methylpiperidin-4-yl)carbonylamino]pyridin-4-yl]oxy-phenyl]carbamoylamino] 2-phenylethanethioate Openeye Name: S-[[2-chloro-4-[[2-[(1-methylpiperidine-4-carbonyl)amino]-4-pyridyl]oxy]phenyl]carbamoylamino] 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-[[[2-chloro-4-[[2-[[(1-methyl-4-piperidinyl)-oxomethyl]amino]-4-pyridinyl]oxy]anilino]-oxomethyl]amino] ester IUPAC Name: S-[[2-chloro-4-[2-[(1-methylpiperidine-4-carbonyl)amino]pyridin-4-yl]oxyphenyl]carbamoylamino] 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-[[2-chloro-4-[[2-[(1-methylisonipecotoyl)amino]-4-pyridyl]oxy]phenyl]carbamoylamino] ester Formula: C27H28ClN5O4S MolecularWeight: 554.06032

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C(=O)NC2=NC=CC(=C2)OC3=CC(=C(C=C3)NC(=O)NSC(=O)CC4=CC=CC=C4)Cl

Isomeric SMILES

CN1CCC(CC1)C(=O)NC2=NC=CC(=C2)OC3=CC(=C(C=C3)NC(=O)NSC(=O)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C27H28ClN5O4S/c1-33-13-10-19(11-14-33)26(35)31-24-17-21(9-12-29-24)37-20-7-8-23(22(28)16-20)30-27(36)32-38-25(34)15-18-5-3-2-4-6-18/h2-9,12,16-17,19H,10-11,13-15H2,1H3,(H,29,31,35)(H2,30,32,36)