1-(furan-2-ylmethyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]thiourea

Systemtic Name: 1-(furan-2-ylmethyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]thiourea Openeye Name: 1-(2-furylmethyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)-6-quinolyl]thiourea CAS Name: 1-(2-furanylmethyl)-3-[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolinyl]thiourea IUPAC Name: 1-(furan-2-ylmethyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]thiourea Traditional Name: 1-(2-furfuryl)-3-[4-methyl-2-(4-methylpiperazino)-6-quinolyl]thiourea Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=S)NCC3=CC=CO3)N4CCN(CC4)C

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=S)NCC3=CC=CO3)N4CCN(CC4)C

InChI

InChI=1S/C21H25N5OS/c1-15-12-20(26-9-7-25(2)8-10-26)24-19-6-5-16(13-18(15)19)23-21(28)22-14-17-4-3-11-27-17/h3-6,11-13H,7-10,14H2,1-2H3,(H2,22,23,28)