1-[(2-bromophenyl)methyl]-3-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]thiourea

Systemtic Name: 1-[(2-bromophenyl)methyl]-3-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]thiourea Openeye Name: 1-[(2-bromophenyl)methyl]-3-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]thiourea CAS Name: 1-[(2-bromophenyl)methyl]-3-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]thiourea IUPAC Name: 1-[(2-bromophenyl)methyl]-3-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]thiourea Traditional Name: 1-(2-bromobenzyl)-3-[4-(2,6-dimethylpiperidino)sulfonylphenyl]thiourea Formula: C21H26BrN3O2S2 MolecularWeight: 496.48404

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=CC=C3Br)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=CC=C3Br)C

InChI

InChI=1S/C21H26BrN3O2S2/c1-15-6-5-7-16(2)25(15)29(26,27)19-12-10-18(11-13-19)24-21(28)23-14-17-8-3-4-9-20(17)22/h3-4,8-13,15-16H,5-7,14H2,1-2H3,(H2,23,24,28)