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

Systemtic Name: 1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-phenethyl-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-phenethyl-1-(4-pyridylmethyl)thiourea CAS Name: 1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-phenethyl-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-phenethyl-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 1-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]-3-phenethyl-1-(4-pyridylmethyl)thiourea Formula: C27H30N4S MolecularWeight: 442.6189

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2CCN(CC3=CC=NC=C3)C(=S)NCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2CCN(CC3=CC=NC=C3)C(=S)NCCC4=CC=CC=C4)C

InChI

InChI=1S/C27H30N4S/c1-20-8-9-26-25(18-20)24(21(2)30-26)13-17-31(19-23-10-14-28-15-11-23)27(32)29-16-12-22-6-4-3-5-7-22/h3-11,14-15,18,30H,12-13,16-17,19H2,1-2H3,(H,29,32)