3-(2,1,3-benzoxadiazol-4-yl)-1-(2-methoxyethyl)-1-[(2-oxidanylidene-1H-quinolin-4-yl)methyl]thiourea

Systemtic Name: 3-(2,1,3-benzoxadiazol-4-yl)-1-(2-methoxyethyl)-1-[(2-oxidanylidene-1H-quinolin-4-yl)methyl]thiourea Openeye Name: 3-(2,1,3-benzoxadiazol-4-yl)-1-(2-methoxyethyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]thiourea CAS Name: 3-(2,1,3-benzoxadiazol-4-yl)-1-(2-methoxyethyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]thiourea IUPAC Name: 3-(2,1,3-benzoxadiazol-4-yl)-1-(2-methoxyethyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]thiourea Traditional Name: 3-benzofurazan-4-yl-1-[(2-keto-1H-quinolin-4-yl)methyl]-1-(2-methoxyethyl)thiourea Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC(=O)NC2=CC=CC=C21)C(=S)NC3=CC=CC4=NON=C43

Isomeric SMILES

COCCN(CC1=CC(=O)NC2=CC=CC=C21)C(=S)NC3=CC=CC4=NON=C43

InChI

InChI=1S/C20H19N5O3S/c1-27-10-9-25(12-13-11-18(26)21-15-6-3-2-5-14(13)15)20(29)22-16-7-4-8-17-19(16)24-28-23-17/h2-8,11H,9-10,12H2,1H3,(H,21,26)(H,22,29)