1-[3-(dimethylamino)propyl]-3-[[2-(4-methylphenyl)quinolin-4-yl]carbonylamino]thiourea

Systemtic Name: 1-[3-(dimethylamino)propyl]-3-[[2-(4-methylphenyl)quinolin-4-yl]carbonylamino]thiourea Openeye Name: 1-[3-(dimethylamino)propyl]-3-[[2-(p-tolyl)quinoline-4-carbonyl]amino]thiourea CAS Name: 1-[3-(dimethylamino)propyl]-3-[[[2-(4-methylphenyl)-4-quinolinyl]-oxomethyl]amino]thiourea IUPAC Name: 1-[3-(dimethylamino)propyl]-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]thiourea Traditional Name: 1-[3-(dimethylamino)propyl]-3-[[2-(p-tolyl)quinoline-4-carbonyl]amino]thiourea Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NNC(=S)NCCCN(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NNC(=S)NCCCN(C)C

InChI

InChI=1S/C23H27N5OS/c1-16-9-11-17(12-10-16)21-15-19(18-7-4-5-8-20(18)25-21)22(29)26-27-23(30)24-13-6-14-28(2)3/h4-5,7-12,15H,6,13-14H2,1-3H3,(H,26,29)(H2,24,27,30)