1-(4-bromanyl-3-methyl-phenyl)-3-[(4-methylsulfonylphenyl)methyl]thiourea

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)-3-[(4-methylsulfonylphenyl)methyl]thiourea Openeye Name: 1-(4-bromo-3-methyl-phenyl)-3-[(4-methylsulfonylphenyl)methyl]thiourea CAS Name: 1-(4-bromo-3-methylphenyl)-3-[(4-methylsulfonylphenyl)methyl]thiourea IUPAC Name: 1-(4-bromo-3-methylphenyl)-3-[(4-methylsulfonylphenyl)methyl]thiourea Traditional Name: 1-(4-bromo-3-methyl-phenyl)-3-(4-mesylbenzyl)thiourea Formula: C16H17BrN2O2S2 MolecularWeight: 413.35238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NCC2=CC=C(C=C2)S(=O)(=O)C)Br

InChI

InChI=1S/C16H17BrN2O2S2/c1-11-9-13(5-8-15(11)17)19-16(22)18-10-12-3-6-14(7-4-12)23(2,20)21/h3-9H,10H2,1-2H3,(H2,18,19,22)