1-[2-[4-(6-bromanyl-4-phenyl-quinolin-2-yl)phenoxy]ethanoylamino]-3-methyl-thiourea

Systemtic Name: 1-[2-[4-(6-bromanyl-4-phenyl-quinolin-2-yl)phenoxy]ethanoylamino]-3-methyl-thiourea Openeye Name: 1-[[2-[4-(6-bromo-4-phenyl-2-quinolyl)phenoxy]acetyl]amino]-3-methyl-thiourea CAS Name: 1-[[2-[4-(6-bromo-4-phenyl-2-quinolinyl)phenoxy]-1-oxoethyl]amino]-3-methylthiourea IUPAC Name: 1-[[2-[4-(6-bromo-4-phenylquinolin-2-yl)phenoxy]acetyl]amino]-3-methylthiourea Traditional Name: 1-[[2-[4-(6-bromo-4-phenyl-2-quinolyl)phenoxy]acetyl]amino]-3-methyl-thiourea Formula: C25H21BrN4O2S MolecularWeight: 521.42884

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NNC(=O)COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C4=CC=CC=C4

Isomeric SMILES

CNC(=S)NNC(=O)COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C4=CC=CC=C4

InChI

InChI=1S/C25H21BrN4O2S/c1-27-25(33)30-29-24(31)15-32-19-10-7-17(8-11-19)23-14-20(16-5-3-2-4-6-16)21-13-18(26)9-12-22(21)28-23/h2-14H,15H2,1H3,(H,29,31)(H2,27,30,33)