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

Systemtic Name: 1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(3-oxidanylpropyl)-3-phenyl-thiourea Openeye Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)-3-phenyl-thiourea CAS Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)-3-phenylthiourea IUPAC Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)-3-phenylthiourea Traditional Name: 1-(3-hydroxypropyl)-1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-3-phenyl-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(CCCO)C(=S)NC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CCCO)C(=S)NC3=CC=CC=C3)OC

InChI

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