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

Systemtic Name: 3-(2,1,3-benzoxadiazol-4-yl)-1-[(2-oxidanylidene-1H-quinolin-4-yl)methyl]-1-propan-2-yl-thiourea Openeye Name: 3-(2,1,3-benzoxadiazol-4-yl)-1-isopropyl-1-[(2-oxo-1H-quinolin-4-yl)methyl]thiourea CAS Name: 3-(2,1,3-benzoxadiazol-4-yl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propan-2-ylthiourea IUPAC Name: 3-(2,1,3-benzoxadiazol-4-yl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propan-2-ylthiourea Traditional Name: 3-benzofurazan-4-yl-1-isopropyl-1-[(2-keto-1H-quinolin-4-yl)methyl]thiourea Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O2S/c1-12(2)25(11-13-10-18(26)21-15-7-4-3-6-14(13)15)20(28)22-16-8-5-9-17-19(16)24-27-23-17/h3-10,12H,11H2,1-2H3,(H,21,26)(H,22,28)