1-(2-butan-2-yloxyphenyl)-3-[3-(1-hexylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]thiourea

Systemtic Name: 1-(2-butan-2-yloxyphenyl)-3-[3-(1-hexylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]thiourea Openeye Name: 1-[3-(1-hexyl-4-piperidyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-3-(2-sec-butoxyphenyl)thiourea CAS Name: 1-(2-butan-2-yloxyphenyl)-3-[3-(1-hexyl-4-piperidinyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]thiourea IUPAC Name: 1-(2-butan-2-yloxyphenyl)-3-[3-(1-hexylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]thiourea Traditional Name: 1-[3-(1-hexyl-4-piperidyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-3-(2-sec-butoxyphenyl)thiourea Formula: C29H41N5OS MolecularWeight: 507.73374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCC(CC1)C2=CNC3=C2N=C(C=C3)NC(=S)NC4=CC=CC=C4OC(C)CC

Isomeric SMILES

CCCCCCN1CCC(CC1)C2=CNC3=C2N=C(C=C3)NC(=S)NC4=CC=CC=C4OC(C)CC

InChI

InChI=1S/C29H41N5OS/c1-4-6-7-10-17-34-18-15-22(16-19-34)23-20-30-25-13-14-27(32-28(23)25)33-29(36)31-24-11-8-9-12-26(24)35-21(3)5-2/h8-9,11-14,20-22,30H,4-7,10,15-19H2,1-3H3,(H2,31,32,33,36)