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

Systemtic Name: 1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1,3-bis(3-morpholin-4-ylpropyl)thiourea Openeye Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-bis(3-morpholinopropyl)thiourea CAS Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-bis[3-(4-morpholinyl)propyl]thiourea IUPAC Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-bis(3-morpholin-4-ylpropyl)thiourea Traditional Name: 1-[(2-keto-5,8-dimethyl-1H-quinolin-3-yl)methyl]-1,3-bis(3-morpholinopropyl)thiourea Formula: C27H41N5O3S MolecularWeight: 515.71114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CCCN3CCOCC3)C(=S)NCCCN4CCOCC4

Isomeric SMILES

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CCCN3CCOCC3)C(=S)NCCCN4CCOCC4

InChI

InChI=1S/C27H41N5O3S/c1-21-5-6-22(2)25-24(21)19-23(26(33)29-25)20-32(10-4-9-31-13-17-35-18-14-31)27(36)28-7-3-8-30-11-15-34-16-12-30/h5-6,19H,3-4,7-18,20H2,1-2H3,(H,28,36)(H,29,33)