1-[3-(1-pentan-3-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-3-(4-propan-2-yloxyphenyl)thiourea; 2-phenylethanoic acid

Systemtic Name: 1-[3-(1-pentan-3-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-3-(4-propan-2-yloxyphenyl)thiourea; 2-phenylethanoic acid Openeye Name: 1-[3-[1-(1-ethylpropyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-yl]-3-(4-isopropoxyphenyl)thiourea; 2-phenylacetic acid CAS Name: 1-[3-(1-pentan-3-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-3-(4-propan-2-yloxyphenyl)thiourea; 2-phenylacetic acid IUPAC Name: 1-[3-(1-pentan-3-yl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]-3-(4-propan-2-yloxyphenyl)thiourea; 2-phenylacetic acid Traditional Name: 1-[3-[1-(1-ethylpropyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-yl]-3-(4-isopropoxyphenyl)thiourea; 2-phenylacetic acid Formula: C36H44N4O3S MolecularWeight: 612.82456

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1CCC(=CC1)C2=CNC3=C2C=C(C=C3)NC(=S)NC4=CC=C(C=C4)OC(C)C.C1=CC=C(C=C1)CC(=O)O

Isomeric SMILES

CCC(CC)N1CCC(=CC1)C2=CNC3=C2C=C(C=C3)NC(=S)NC4=CC=C(C=C4)OC(C)C.C1=CC=C(C=C1)CC(=O)O

InChI

InChI=1S/C28H36N4OS.C8H8O2/c1-5-23(6-2)32-15-13-20(14-16-32)26-18-29-27-12-9-22(17-25(26)27)31-28(34)30-21-7-10-24(11-8-21)33-19(3)4;9-8(10)6-7-4-2-1-3-5-7/h7-13,17-19,23,29H,5-6,14-16H2,1-4H3,(H2,30,31,34);1-5H,6H2,(H,9,10)