1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-(phenylmethyl)-1-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-(phenylmethyl)-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 3-benzyl-1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-1-(4-pyridylmethyl)thiourea CAS Name: 1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-(phenylmethyl)-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 3-benzyl-1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 3-benzyl-1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-1-(4-pyridylmethyl)thiourea Formula: C26H28N4S MolecularWeight: 428.59232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2CCN(CC3=CC=NC=C3)C(=S)NCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2CCN(CC3=CC=NC=C3)C(=S)NCC4=CC=CC=C4)C

InChI

InChI=1S/C26H28N4S/c1-19-8-9-25-24(16-19)23(20(2)29-25)12-15-30(18-22-10-13-27-14-11-22)26(31)28-17-21-6-4-3-5-7-21/h3-11,13-14,16,29H,12,15,17-18H2,1-2H3,(H,28,31)