prop-2-enyl N-[3-[1-[[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-morpholin-4-yl-pyridin-2-yl]amino]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]butyl]phenyl]carbamate Openeye Name: allyl N-[3-[1-[[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-morpholino-2-pyridyl]amino]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]butyl]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]butyl]phenyl]carbamate Traditional Name: N-[3-[1-[[6-[[(5-ethyl-1,3,4-thiadiazol-2-yl)thio]methyl]-4-morpholino-2-pyridyl]amino]butyl]phenyl]carbamic acid allyl ester Formula: C28H36N6O3S2 MolecularWeight: 568.75384

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC(=CC=C1)NC(=O)OCC=C)NC2=CC(=CC(=N2)CSC3=NN=C(S3)CC)N4CCOCC4

Isomeric SMILES

CCCC(C1=CC(=CC=C1)NC(=O)OCC=C)NC2=CC(=CC(=N2)CSC3=NN=C(S3)CC)N4CCOCC4

InChI

InChI=1S/C28H36N6O3S2/c1-4-8-24(20-9-7-10-21(16-20)30-27(35)37-13-5-2)31-25-18-23(34-11-14-36-15-12-34)17-22(29-25)19-38-28-33-32-26(6-3)39-28/h5,7,9-10,16-18,24H,2,4,6,8,11-15,19H2,1,3H3,(H,29,31)(H,30,35)