3-(4-bromophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(2-methylphenyl)methyl]thiourea

Systemtic Name: 3-(4-bromophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(2-methylphenyl)methyl]thiourea Openeye Name: 3-(4-bromophenyl)-1-(3-imidazol-1-ylpropyl)-1-(o-tolylmethyl)thiourea CAS Name: 3-(4-bromophenyl)-1-[3-(1-imidazolyl)propyl]-1-[(2-methylphenyl)methyl]thiourea IUPAC Name: 3-(4-bromophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(2-methylphenyl)methyl]thiourea Traditional Name: 3-(4-bromophenyl)-1-(3-imidazol-1-ylpropyl)-1-(2-methylbenzyl)thiourea Formula: C21H23BrN4S MolecularWeight: 443.40312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CCCN2C=CN=C2)C(=S)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=CC=C1CN(CCCN2C=CN=C2)C(=S)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H23BrN4S/c1-17-5-2-3-6-18(17)15-26(13-4-12-25-14-11-23-16-25)21(27)24-20-9-7-19(22)8-10-20/h2-3,5-11,14,16H,4,12-13,15H2,1H3,(H,24,27)