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

Systemtic Name: 1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-(3-methylphenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-(m-tolyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-(3-methylphenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-(3-methylphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-(m-tolyl)-1-(3-pyridylmethyl)thiourea Formula: C26H28N4S MolecularWeight: 428.59232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N(CCC2=C(NC3=C2C=C(C=C3)C)C)CC4=CN=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N(CCC2=C(NC3=C2C=C(C=C3)C)C)CC4=CN=CC=C4

InChI

InChI=1S/C26H28N4S/c1-18-6-4-8-22(14-18)29-26(31)30(17-21-7-5-12-27-16-21)13-11-23-20(3)28-25-10-9-19(2)15-24(23)25/h4-10,12,14-16,28H,11,13,17H2,1-3H3,(H,29,31)