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

Systemtic Name: 1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-benzyl-1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-1-(3-pyridylmethyl)thiourea Formula: C26H26N4O3S MolecularWeight: 474.57464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CN=CC=C3)C(=S)NCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CN=CC=C3)C(=S)NCC4=CC=CC=C4)OC

InChI

InChI=1S/C26H26N4O3S/c1-32-23-12-20-11-21(25(31)29-22(20)13-24(23)33-2)17-30(16-19-9-6-10-27-14-19)26(34)28-15-18-7-4-3-5-8-18/h3-14H,15-17H2,1-2H3,(H,28,34)(H,29,31)