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

Systemtic Name: 1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-benzyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(phenylmethyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-benzyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-benzyl-1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-1-(3-pyridylmethyl)thiourea Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CN=CC=C3)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CN=CC=C3)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C26H26N4O2S/c1-2-32-23-10-11-24-21(14-23)13-22(25(31)29-24)18-30(17-20-9-6-12-27-15-20)26(33)28-16-19-7-4-3-5-8-19/h3-15H,2,16-18H2,1H3,(H,28,33)(H,29,31)