1-(4-bromophenyl)-3-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]thiourea

Systemtic Name: 1-(4-bromophenyl)-3-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]thiourea Openeye Name: 1-(4-bromophenyl)-3-[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]thiourea CAS Name: 1-(4-bromophenyl)-3-[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]thiourea IUPAC Name: 1-(4-bromophenyl)-3-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]thiourea Traditional Name: 1-(4-bromophenyl)-3-[4-(3-methylpiperidino)sulfonylphenyl]thiourea Formula: C19H22BrN3O2S2 MolecularWeight: 468.43088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H22BrN3O2S2/c1-14-3-2-12-23(13-14)27(24,25)18-10-8-17(9-11-18)22-19(26)21-16-6-4-15(20)5-7-16/h4-11,14H,2-3,12-13H2,1H3,(H2,21,22,26)