1-butyl-3-[4-[(6-fluoranyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]thiourea

Systemtic Name: 1-butyl-3-[4-[(6-fluoranyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]thiourea Openeye Name: 1-butyl-3-[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]thiourea CAS Name: 1-butyl-3-[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]thiourea IUPAC Name: 1-butyl-3-[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]thiourea Traditional Name: 1-butyl-3-[4-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]thiourea Formula: C21H26FN3O2S2 MolecularWeight: 435.578443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2C(CCC3=C2C=CC(=C3)F)C

Isomeric SMILES

CCCCNC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2C(CCC3=C2C=CC(=C3)F)C

InChI

InChI=1S/C21H26FN3O2S2/c1-3-4-13-23-21(28)24-18-8-10-19(11-9-18)29(26,27)25-15(2)5-6-16-14-17(22)7-12-20(16)25/h7-12,14-15H,3-6,13H2,1-2H3,(H2,23,24,28)