4-[3-methyl-2-[(quinolin-3-ylamino)methyl]pyridin-4-yl]oxybutyl carbamimidothioate

Systemtic Name: 4-[3-methyl-2-[(quinolin-3-ylamino)methyl]pyridin-4-yl]oxybutyl carbamimidothioate Openeye Name: 2-[4-[[3-methyl-2-[(3-quinolylamino)methyl]-4-pyridyl]oxy]butyl]isothiourea CAS Name: carbamimidothioic acid 4-[[3-methyl-2-[(3-quinolinylamino)methyl]-4-pyridinyl]oxy]butyl ester IUPAC Name: 4-[3-methyl-2-[(quinolin-3-ylamino)methyl]pyridin-4-yl]oxybutyl carbamimidothioate Traditional Name: 2-[4-[[3-methyl-2-[(3-quinolylamino)methyl]-4-pyridyl]oxy]butyl]isothiourea Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CNC2=CC3=CC=CC=C3N=C2)OCCCCSC(=N)N

Isomeric SMILES

CC1=C(C=CN=C1CNC2=CC3=CC=CC=C3N=C2)OCCCCSC(=N)N

InChI

InChI=1S/C21H25N5OS/c1-15-19(14-25-17-12-16-6-2-3-7-18(16)26-13-17)24-9-8-20(15)27-10-4-5-11-28-21(22)23/h2-3,6-9,12-13,25H,4-5,10-11,14H2,1H3,(H3,22,23)