prop-2-enyl N-[3-[1-[[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-morpholin-4-yl-pyridin-2-yl]amino]-4-oxidanyl-butyl]phenyl]carbamate

Systemtic Name: prop-2-enyl N-[3-[1-[[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-morpholin-4-yl-pyridin-2-yl]amino]-4-oxidanyl-butyl]phenyl]carbamate Openeye Name: allyl N-[3-[1-[[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-morpholino-2-pyridyl]amino]-4-hydroxy-butyl]phenyl]carbamate CAS Name: N-[3-[1-[[6-[[(5-ethyl-1,3,4-thiadiazol-2-yl)thio]methyl]-4-(4-morpholinyl)-2-pyridinyl]amino]-4-hydroxybutyl]phenyl]carbamic acid prop-2-enyl ester IUPAC Name: prop-2-enyl N-[3-[1-[[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-morpholin-4-ylpyridin-2-yl]amino]-4-hydroxybutyl]phenyl]carbamate Traditional Name: N-[3-[1-[[6-[[(5-ethyl-1,3,4-thiadiazol-2-yl)thio]methyl]-4-morpholino-2-pyridyl]amino]-4-hydroxy-butyl]phenyl]carbamic acid allyl ester Formula: C28H36N6O4S2 MolecularWeight: 584.75324

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)SCC2=NC(=CC(=C2)N3CCOCC3)NC(CCCO)C4=CC(=CC=C4)NC(=O)OCC=C

Isomeric SMILES

CCC1=NN=C(S1)SCC2=NC(=CC(=C2)N3CCOCC3)NC(CCCO)C4=CC(=CC=C4)NC(=O)OCC=C

InChI

InChI=1S/C28H36N6O4S2/c1-3-13-38-27(36)30-21-8-5-7-20(16-21)24(9-6-12-35)31-25-18-23(34-10-14-37-15-11-34)17-22(29-25)19-39-28-33-32-26(4-2)40-28/h3,5,7-8,16-18,24,35H,1,4,6,9-15,19H2,2H3,(H,29,31)(H,30,36)