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

Systemtic Name: 3-(2,1,3-benzoxadiazol-4-yl)-1-(3-methoxypropyl)-1-[(2-oxidanylidene-1H-quinolin-4-yl)methyl]thiourea Openeye Name: 3-(2,1,3-benzoxadiazol-4-yl)-1-(3-methoxypropyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]thiourea CAS Name: 3-(2,1,3-benzoxadiazol-4-yl)-1-(3-methoxypropyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]thiourea IUPAC Name: 3-(2,1,3-benzoxadiazol-4-yl)-1-(3-methoxypropyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]thiourea Traditional Name: 3-benzofurazan-4-yl-1-[(2-keto-1H-quinolin-4-yl)methyl]-1-(3-methoxypropyl)thiourea Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O3S/c1-28-11-5-10-26(13-14-12-19(27)22-16-7-3-2-6-15(14)16)21(30)23-17-8-4-9-18-20(17)25-29-24-18/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,22,27)(H,23,30)