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

Systemtic Name: 1-[(2-chlorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(2-methylphenyl)thiourea Openeye Name: 1-[(2-chlorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(o-tolyl)thiourea CAS Name: 1-[(2-chlorophenyl)methyl]-1-[3-(1-imidazolyl)propyl]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[(2-chlorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(2-methylphenyl)thiourea Traditional Name: 1-(2-chlorobenzyl)-1-(3-imidazol-1-ylpropyl)-3-(o-tolyl)thiourea Formula: C21H23ClN4S MolecularWeight: 398.95212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N(CCCN2C=CN=C2)CC3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N(CCCN2C=CN=C2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C21H23ClN4S/c1-17-7-2-5-10-20(17)24-21(27)26(13-6-12-25-14-11-23-16-25)15-18-8-3-4-9-19(18)22/h2-5,7-11,14,16H,6,12-13,15H2,1H3,(H,24,27)