1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)thiourea CAS Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)thiourea Traditional Name: 3-benzyl-1-(2-hydroxyethyl)-1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]thiourea Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CCO)C(=S)NCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CCO)C(=S)NCC3=CC=CC=C3)OC

InChI

InChI=1S/C22H25N3O4S/c1-28-19-11-16-10-17(21(27)24-18(16)12-20(19)29-2)14-25(8-9-26)22(30)23-13-15-6-4-3-5-7-15/h3-7,10-12,26H,8-9,13-14H2,1-2H3,(H,23,30)(H,24,27)