N-(6-ethoxy-2,2,4-trimethyl-quinolin-1-yl)carbothioyl-4-phenyl-benzamide

Systemtic Name: N-(6-ethoxy-2,2,4-trimethyl-quinolin-1-yl)carbothioyl-4-phenyl-benzamide Openeye Name: N-(6-ethoxy-2,2,4-trimethyl-quinoline-1-carbothioyl)-4-phenyl-benzamide CAS Name: N-[(6-ethoxy-2,2,4-trimethyl-1-quinolinyl)-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-(6-ethoxy-2,2,4-trimethylquinoline-1-carbothioyl)-4-phenylbenzamide Traditional Name: N-(6-ethoxy-2,2,4-trimethyl-quinoline-1-carbothioyl)-4-phenyl-benzamide Formula: C28H28N2O2S MolecularWeight: 456.59912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(C=C2C)(C)C)C(=S)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(C=C2C)(C)C)C(=S)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H28N2O2S/c1-5-32-23-15-16-25-24(17-23)19(2)18-28(3,4)30(25)27(33)29-26(31)22-13-11-21(12-14-22)20-9-7-6-8-10-20/h6-18H,5H2,1-4H3,(H,29,31,33)