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

Systemtic Name: 1-[3-[[[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-morpholin-4-yl-pyridin-2-yl]amino]methyl]phenyl]-3-prop-2-enyl-urea Openeye Name: 1-allyl-3-[3-[[[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-morpholino-2-pyridyl]amino]methyl]phenyl]urea CAS Name: 1-[3-[[[6-[[(5-ethyl-1,3,4-thiadiazol-2-yl)thio]methyl]-4-(4-morpholinyl)-2-pyridinyl]amino]methyl]phenyl]-3-prop-2-enylurea IUPAC Name: 1-[3-[[[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-morpholin-4-ylpyridin-2-yl]amino]methyl]phenyl]-3-prop-2-enylurea Traditional Name: 1-allyl-3-[3-[[[6-[[(5-ethyl-1,3,4-thiadiazol-2-yl)thio]methyl]-4-morpholino-2-pyridyl]amino]methyl]phenyl]urea Formula: C25H31N7O2S2 MolecularWeight: 525.68934

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)SCC2=NC(=CC(=C2)N3CCOCC3)NCC4=CC(=CC=C4)NC(=O)NCC=C

Isomeric SMILES

CCC1=NN=C(S1)SCC2=NC(=CC(=C2)N3CCOCC3)NCC4=CC(=CC=C4)NC(=O)NCC=C

InChI

InChI=1S/C25H31N7O2S2/c1-3-8-26-24(33)29-19-7-5-6-18(13-19)16-27-22-15-21(32-9-11-34-12-10-32)14-20(28-22)17-35-25-31-30-23(4-2)36-25/h3,5-7,13-15H,1,4,8-12,16-17H2,2H3,(H,27,28)(H2,26,29,33)