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

Systemtic Name: 1-[(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholinopropyl)thiourea CAS Name: 1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[3-(4-morpholinyl)propyl]-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea Traditional Name: 3-benzyl-1-[(2-keto-5,8-dimethyl-1H-quinolin-3-yl)methyl]-1-(3-morpholinopropyl)thiourea Formula: C27H34N4O2S MolecularWeight: 478.64946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CCCN3CCOCC3)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

CC1=C2C=C(C(=O)NC2=C(C=C1)C)CN(CCCN3CCOCC3)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C27H34N4O2S/c1-20-9-10-21(2)25-24(20)17-23(26(32)29-25)19-31(12-6-11-30-13-15-33-16-14-30)27(34)28-18-22-7-4-3-5-8-22/h3-5,7-10,17H,6,11-16,18-19H2,1-2H3,(H,28,34)(H,29,32)