1-[(E)-[6-(2-isocyanoethyl)-7-methyl-2-(3-methylimidazol-4-yl)quinolin-4-yl]methylideneamino]-1-methyl-thiourea

Systemtic Name: 1-[(E)-[6-(2-isocyanoethyl)-7-methyl-2-(3-methylimidazol-4-yl)quinolin-4-yl]methylideneamino]-1-methyl-thiourea Openeye Name: 1-[(E)-[6-(2-isocyanoethyl)-7-methyl-2-(3-methylimidazol-4-yl)-4-quinolyl]methyleneamino]-1-methyl-thiourea CAS Name: 1-[(E)-[6-(2-isocyanoethyl)-7-methyl-2-(3-methyl-4-imidazolyl)-4-quinolinyl]methylideneamino]-1-methylthiourea IUPAC Name: 1-[(E)-[6-(2-isocyanoethyl)-7-methyl-2-(3-methylimidazol-4-yl)quinolin-4-yl]methylideneamino]-1-methylthiourea Traditional Name: 1-[(E)-[6-(2-isocyanoethyl)-7-methyl-2-(3-methylimidazol-4-yl)-4-quinolyl]methyleneamino]-1-methyl-thiourea Formula: C20H21N7S MolecularWeight: 391.49264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=NC2=C1)C3=CN=CN3C)C=NN(C)C(=S)N)CC[N+]#[C-]

Isomeric SMILES

CC1=C(C=C2C(=CC(=NC2=C1)C3=CN=CN3C)/C=N/N(C)C(=S)N)CC[N+]#[C-]

InChI

InChI=1S/C20H21N7S/c1-13-7-17-16(8-14(13)5-6-22-2)15(10-24-27(4)20(21)28)9-18(25-17)19-11-23-12-26(19)3/h7-12H,5-6H2,1,3-4H3,(H2,21,28)/b24-10+