1-(2-butan-2-yloxyphenyl)-3-[3-(1-pentylpiperidin-4-yl)-2H-indazol-5-yl]thiourea hydrochloride

Systemtic Name: 1-(2-butan-2-yloxyphenyl)-3-[3-(1-pentylpiperidin-4-yl)-2H-indazol-5-yl]thiourea hydrochloride Openeye Name: 1-[3-(1-pentyl-4-piperidyl)-2H-indazol-5-yl]-3-(2-sec-butoxyphenyl)thiourea hydrochloride CAS Name: 1-(2-butan-2-yloxyphenyl)-3-[3-(1-pentyl-4-piperidinyl)-2H-indazol-5-yl]thiourea hydrochloride IUPAC Name: 1-(2-butan-2-yloxyphenyl)-3-[3-(1-pentylpiperidin-4-yl)-2H-indazol-5-yl]thiourea hydrochloride Traditional Name: 1-[3-(1-amyl-4-piperidyl)-2H-indazol-5-yl]-3-(2-sec-butoxyphenyl)thiourea hydrochloride Formula: C28H40ClN5OS MolecularWeight: 530.1681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCC(CC1)C2=C3C=C(C=CC3=NN2)NC(=S)NC4=CC=CC=C4OC(C)CC.Cl

Isomeric SMILES

CCCCCN1CCC(CC1)C2=C3C=C(C=CC3=NN2)NC(=S)NC4=CC=CC=C4OC(C)CC.Cl

InChI

InChI=1S/C28H39N5OS.ClH/c1-4-6-9-16-33-17-14-21(15-18-33)27-23-19-22(12-13-24(23)31-32-27)29-28(35)30-25-10-7-8-11-26(25)34-20(3)5-2;/h7-8,10-13,19-21H,4-6,9,14-18H2,1-3H3,(H,31,32)(H2,29,30,35);1H