3-(3-chloranyl-4-fluoranyl-phenyl)-1,1-bis[3-(dimethylamino)propyl]thiourea

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-1,1-bis[3-(dimethylamino)propyl]thiourea Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-1,1-bis[3-(dimethylamino)propyl]thiourea CAS Name: 3-(3-chloro-4-fluorophenyl)-1,1-bis[3-(dimethylamino)propyl]thiourea IUPAC Name: 3-(3-chloro-4-fluorophenyl)-1,1-bis[3-(dimethylamino)propyl]thiourea Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-1,1-bis[3-(dimethylamino)propyl]thiourea Formula: C17H28ClFN4S MolecularWeight: 374.947423

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN(CCCN(C)C)C(=S)NC1=CC(=C(C=C1)F)Cl

Isomeric SMILES

CN(C)CCCN(CCCN(C)C)C(=S)NC1=CC(=C(C=C1)F)Cl

InChI

InChI=1S/C17H28ClFN4S/c1-21(2)9-5-11-23(12-6-10-22(3)4)17(24)20-14-7-8-16(19)15(18)13-14/h7-8,13H,5-6,9-12H2,1-4H3,(H,20,24)