1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(1-phenylethyl)thiourea

Systemtic Name: 1-[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(1-phenylethyl)thiourea Openeye Name: 1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholinopropyl)-3-(1-phenylethyl)thiourea CAS Name: 1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[3-(4-morpholinyl)propyl]-3-(1-phenylethyl)thiourea IUPAC Name: 1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)-3-(1-phenylethyl)thiourea Traditional Name: 1-[(2-keto-6-methyl-1H-quinolin-3-yl)methyl]-1-(3-morpholinopropyl)-3-(1-phenylethyl)thiourea Formula: C27H34N4O2S MolecularWeight: 478.64946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCCN3CCOCC3)C(=S)NC(C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCCN3CCOCC3)C(=S)NC(C)C4=CC=CC=C4

InChI

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