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

Systemtic Name: prop-2-enyl N-[3-[[[6-[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-4-morpholin-4-yl-pyridin-2-yl]amino]methyl]phenyl]carbamate Openeye Name: allyl N-[3-[[[6-[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-4-morpholino-2-pyridyl]amino]methyl]phenyl]carbamate CAS Name: N-[3-[[[6-[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)thio]ethyl]-4-(4-morpholinyl)-2-pyridinyl]amino]methyl]phenyl]carbamic acid prop-2-enyl ester IUPAC Name: prop-2-enyl N-[3-[[[6-[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-4-morpholin-4-ylpyridin-2-yl]amino]methyl]phenyl]carbamate Traditional Name: N-[3-[[[6-[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)thio]ethyl]-4-morpholino-2-pyridyl]amino]methyl]phenyl]carbamic acid allyl ester Formula: C26H32N6O3S2 MolecularWeight: 540.70068

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)SC(C)C2=NC(=CC(=C2)N3CCOCC3)NCC4=CC(=CC=C4)NC(=O)OCC=C

Isomeric SMILES

CCC1=NN=C(S1)SC(C)C2=NC(=CC(=C2)N3CCOCC3)NCC4=CC(=CC=C4)NC(=O)OCC=C

InChI

InChI=1S/C26H32N6O3S2/c1-4-11-35-25(33)28-20-8-6-7-19(14-20)17-27-23-16-21(32-9-12-34-13-10-32)15-22(29-23)18(3)36-26-31-30-24(5-2)37-26/h4,6-8,14-16,18H,1,5,9-13,17H2,2-3H3,(H,27,29)(H,28,33)