1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-phenethyl-thiourea

Systemtic Name: 1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-phenethyl-thiourea Openeye Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-furylmethyl)-3-phenethyl-thiourea CAS Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-furanylmethyl)-3-phenethylthiourea IUPAC Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-phenethylthiourea Traditional Name: 1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-1-(2-furfuryl)-3-phenethyl-thiourea Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CO3)C(=S)NCCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CO3)C(=S)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O3S/c1-2-31-22-10-11-24-20(16-22)15-21(25(30)28-24)17-29(18-23-9-6-14-32-23)26(33)27-13-12-19-7-4-3-5-8-19/h3-11,14-16H,2,12-13,17-18H2,1H3,(H,27,33)(H,28,30)