S-[[2-chloranyl-4-[2-(3-morpholin-4-ylpropylcarbamoylamino)pyridin-4-yl]oxy-phenyl]carbamoylamino] ethanethioate

Systemtic Name: S-[[2-chloranyl-4-[2-(3-morpholin-4-ylpropylcarbamoylamino)pyridin-4-yl]oxy-phenyl]carbamoylamino] ethanethioate Openeye Name: S-[[2-chloro-4-[[2-(3-morpholinopropylcarbamoylamino)-4-pyridyl]oxy]phenyl]carbamoylamino] ethanethioate CAS Name: ethanethioic acid S-[[[2-chloro-4-[[2-[[[3-(4-morpholinyl)propylamino]-oxomethyl]amino]-4-pyridinyl]oxy]anilino]-oxomethyl]amino] ester IUPAC Name: S-[[2-chloro-4-[2-(3-morpholin-4-ylpropylcarbamoylamino)pyridin-4-yl]oxyphenyl]carbamoylamino] ethanethioate Traditional Name: ethanethioic acid S-[[2-chloro-4-[[2-(3-morpholinopropylcarbamoylamino)-4-pyridyl]oxy]phenyl]carbamoylamino] ester Formula: C22H27ClN6O5S MolecularWeight: 523.00498

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SNC(=O)NC1=C(C=C(C=C1)OC2=CC(=NC=C2)NC(=O)NCCCN3CCOCC3)Cl

Isomeric SMILES

CC(=O)SNC(=O)NC1=C(C=C(C=C1)OC2=CC(=NC=C2)NC(=O)NCCCN3CCOCC3)Cl

InChI

InChI=1S/C22H27ClN6O5S/c1-15(30)35-28-22(32)26-19-4-3-16(13-18(19)23)34-17-5-7-24-20(14-17)27-21(31)25-6-2-8-29-9-11-33-12-10-29/h3-5,7,13-14H,2,6,8-12H2,1H3,(H2,26,28,32)(H2,24,25,27,31)