1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)-1-(3-pyridylmethyl)thiourea Formula: C25H27N5OS MolecularWeight: 445.57978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)CCN(CC3=CN=CC=C3)C(=S)NC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)CCN(CC3=CN=CC=C3)C(=S)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C25H27N5OS/c1-17-13-22-23(14-18(17)2)29-24(28-22)10-12-30(16-19-5-4-11-26-15-19)25(32)27-20-6-8-21(31-3)9-7-20/h4-9,11,13-15H,10,12,16H2,1-3H3,(H,27,32)(H,28,29)