1-methyl-1-[(E)-[2-(3-methylimidazol-4-yl)-6-(4-oxidanylbutyl)quinolin-4-yl]methylideneamino]thiourea

Systemtic Name: 1-methyl-1-[(E)-[2-(3-methylimidazol-4-yl)-6-(4-oxidanylbutyl)quinolin-4-yl]methylideneamino]thiourea Openeye Name: 1-[(E)-[6-(4-hydroxybutyl)-2-(3-methylimidazol-4-yl)-4-quinolyl]methyleneamino]-1-methyl-thiourea CAS Name: 1-[(E)-[6-(4-hydroxybutyl)-2-(3-methyl-4-imidazolyl)-4-quinolinyl]methylideneamino]-1-methylthiourea IUPAC Name: 1-[(E)-[6-(4-hydroxybutyl)-2-(3-methylimidazol-4-yl)quinolin-4-yl]methylideneamino]-1-methylthiourea Traditional Name: 1-[(E)-[6-(4-hydroxybutyl)-2-(3-methylimidazol-4-yl)-4-quinolyl]methyleneamino]-1-methyl-thiourea Formula: C20H24N6OS MolecularWeight: 396.50916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C2=NC3=C(C=C(C=C3)CCCCO)C(=C2)C=NN(C)C(=S)N

Isomeric SMILES

CN1C=NC=C1C2=NC3=C(C=C(C=C3)CCCCO)C(=C2)/C=N/N(C)C(=S)N

InChI

InChI=1S/C20H24N6OS/c1-25-13-22-12-19(25)18-10-15(11-23-26(2)20(21)28)16-9-14(5-3-4-8-27)6-7-17(16)24-18/h6-7,9-13,27H,3-5,8H2,1-2H3,(H2,21,28)/b23-11+