1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)thiourea CAS Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)thiourea Traditional Name: 3-benzyl-1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)thiourea Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCO)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCO)C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3S/c1-2-28-19-8-9-20-17(13-19)12-18(21(27)24-20)15-25(10-11-26)22(29)23-14-16-6-4-3-5-7-16/h3-9,12-13,26H,2,10-11,14-15H2,1H3,(H,23,29)(H,24,27)