1-(2-methylquinolin-4-yl)-3-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]urea

Systemtic Name: 1-(2-methylquinolin-4-yl)-3-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]urea Openeye Name: 1-(2-methyl-4-quinolyl)-3-[2-[4-(2-thienylsulfonyl)piperazin-1-yl]ethyl]urea CAS Name: 1-(2-methyl-4-quinolinyl)-3-[2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethyl]urea IUPAC Name: 1-(2-methylquinolin-4-yl)-3-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]urea Traditional Name: 1-(2-methyl-4-quinolyl)-3-[2-[4-(2-thienylsulfonyl)piperazino]ethyl]urea Formula: C21H25N5O3S2 MolecularWeight: 459.5849

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NCCN3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)NCCN3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H25N5O3S2/c1-16-15-19(17-5-2-3-6-18(17)23-16)24-21(27)22-8-9-25-10-12-26(13-11-25)31(28,29)20-7-4-14-30-20/h2-7,14-15H,8-13H2,1H3,(H2,22,23,24,27)