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

Systemtic Name: 1-[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-phenethyl-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea CAS Name: 1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethyl-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenethylthiourea Traditional Name: 1-benzyl-1-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]-3-phenethyl-thiourea Formula: C28H29N3O2S MolecularWeight: 471.61376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CC=C3)C(=S)NCCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CC=C3)C(=S)NCCC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O2S/c1-2-33-25-13-14-26-23(18-25)17-24(27(32)30-26)20-31(19-22-11-7-4-8-12-22)28(34)29-16-15-21-9-5-3-6-10-21/h3-14,17-18H,2,15-16,19-20H2,1H3,(H,29,34)(H,30,32)