3-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(3-methylphenyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 3-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(3-methylphenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(m-tolyl)-1-(3-pyridylmethyl)thiourea CAS Name: 3-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(3-methylphenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(3-methylphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-(m-tolyl)-1-(3-pyridylmethyl)thiourea Formula: C25H27N5S MolecularWeight: 429.58038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CC2=CN=CC=C2)C(=S)NCCC3=NC4=C(N3)C=C(C(=C4)C)C

Isomeric SMILES

CC1=CC(=CC=C1)N(CC2=CN=CC=C2)C(=S)NCCC3=NC4=C(N3)C=C(C(=C4)C)C

InChI

InChI=1S/C25H27N5S/c1-17-6-4-8-21(12-17)30(16-20-7-5-10-26-15-20)25(31)27-11-9-24-28-22-13-18(2)19(3)14-23(22)29-24/h4-8,10,12-15H,9,11,16H2,1-3H3,(H,27,31)(H,28,29)