1-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-[(4-fluorophenyl)methyl]thiourea

Systemtic Name: 1-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-[(4-fluorophenyl)methyl]thiourea Openeye Name: 1-[4-[(2-ethyl-1-piperidyl)sulfonyl]phenyl]-3-[(4-fluorophenyl)methyl]thiourea CAS Name: 1-[4-[(2-ethyl-1-piperidinyl)sulfonyl]phenyl]-3-[(4-fluorophenyl)methyl]thiourea IUPAC Name: 1-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-[(4-fluorophenyl)methyl]thiourea Traditional Name: 1-[4-(2-ethylpiperidino)sulfonylphenyl]-3-(4-fluorobenzyl)thiourea Formula: C21H26FN3O2S2 MolecularWeight: 435.578443

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3O2S2/c1-2-19-5-3-4-14-25(19)29(26,27)20-12-10-18(11-13-20)24-21(28)23-15-16-6-8-17(22)9-7-16/h6-13,19H,2-5,14-15H2,1H3,(H2,23,24,28)