1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)-3-phenethyl-thiourea

Systemtic Name: 1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)-3-phenethyl-thiourea Openeye Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholinopropyl)-3-phenethyl-thiourea CAS Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[3-(4-morpholinyl)propyl]-3-phenethylthiourea IUPAC Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)-3-phenethylthiourea Traditional Name: 1-[(2-keto-5,8-dimethyl-1H-quinolin-3-yl)methyl]-1-(3-morpholinopropyl)-3-phenethyl-thiourea Formula: C28H36N4O2S MolecularWeight: 492.67604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CCCN3CCOCC3)C(=S)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CCCN3CCOCC3)C(=S)NCCC4=CC=CC=C4

InChI

InChI=1S/C28H36N4O2S/c1-21-9-10-22(2)26-25(21)19-24(27(33)30-26)20-32(14-6-13-31-15-17-34-18-16-31)28(35)29-12-11-23-7-4-3-5-8-23/h3-5,7-10,19H,6,11-18,20H2,1-2H3,(H,29,35)(H,30,33)