1-[3-(diethylamino)propyl]-1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[3-(diethylamino)propyl]-1-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-[3-(diethylamino)propyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea CAS Name: 1-[3-(diethylamino)propyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-[3-(diethylamino)propyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea Traditional Name: 3-benzyl-1-[3-(diethylamino)propyl]-1-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]thiourea Formula: C27H36N4OS MolecularWeight: 464.66594

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCCN(CC)CC)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCCN(CC)CC)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C27H36N4OS/c1-4-21-13-14-25-23(17-21)18-24(26(32)29-25)20-31(16-10-15-30(5-2)6-3)27(33)28-19-22-11-8-7-9-12-22/h7-9,11-14,17-18H,4-6,10,15-16,19-20H2,1-3H3,(H,28,33)(H,29,32)