1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-[(4-fluorophenyl)methyl]thiourea

Systemtic Name: 1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-[(4-fluorophenyl)methyl]thiourea Openeye Name: 1-[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]phenyl]-3-[(4-fluorophenyl)methyl]thiourea CAS Name: 1-[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]-3-[(4-fluorophenyl)methyl]thiourea IUPAC Name: 1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-[(4-fluorophenyl)methyl]thiourea Traditional Name: 1-[4-(3,5-dimethylpiperidino)sulfonylphenyl]-3-(4-fluorobenzyl)thiourea Formula: C21H26FN3O2S2 MolecularWeight: 435.578443

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H26FN3O2S2/c1-15-11-16(2)14-25(13-15)29(26,27)20-9-7-19(8-10-20)24-21(28)23-12-17-3-5-18(22)6-4-17/h3-10,15-16H,11-14H2,1-2H3,(H2,23,24,28)