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

Systemtic Name: 1-[(E)-[6-(2-isocyanoethyl)-2-(3-methylimidazol-4-yl)quinolin-4-yl]methylideneamino]-1-methyl-thiourea Openeye Name: 1-[(E)-[6-(2-isocyanoethyl)-2-(3-methylimidazol-4-yl)-4-quinolyl]methyleneamino]-1-methyl-thiourea CAS Name: 1-[(E)-[6-(2-isocyanoethyl)-2-(3-methyl-4-imidazolyl)-4-quinolinyl]methylideneamino]-1-methylthiourea IUPAC Name: 1-[(E)-[6-(2-isocyanoethyl)-2-(3-methylimidazol-4-yl)quinolin-4-yl]methylideneamino]-1-methylthiourea Traditional Name: 1-[(E)-[6-(2-isocyanoethyl)-2-(3-methylimidazol-4-yl)-4-quinolyl]methyleneamino]-1-methyl-thiourea Formula: C19H19N7S MolecularWeight: 377.46606

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C2=NC3=C(C=C(C=C3)CC[N+]#[C-])C(=C2)C=NN(C)C(=S)N

Isomeric SMILES

CN1C=NC=C1C2=NC3=C(C=C(C=C3)CC[N+]#[C-])C(=C2)/C=N/N(C)C(=S)N

InChI

InChI=1S/C19H19N7S/c1-21-7-6-13-4-5-16-15(8-13)14(10-23-26(3)19(20)27)9-17(24-16)18-11-22-12-25(18)2/h4-5,8-12H,6-7H2,2-3H3,(H2,20,27)/b23-10+