3-methoxy-N-[(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)carbothioyl]benzamide

Systemtic Name: 3-methoxy-N-[(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)carbothioyl]benzamide Openeye Name: 3-methoxy-N-(2,2,4-trimethyl-4-phenyl-3H-quinoline-1-carbothioyl)benzamide CAS Name: 3-methoxy-N-[sulfanylidene-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methyl]benzamide IUPAC Name: 3-methoxy-N-(2,2,4-trimethyl-4-phenyl-3H-quinoline-1-carbothioyl)benzamide Traditional Name: 3-methoxy-N-(2,2,4-trimethyl-4-phenyl-3H-quinoline-1-carbothioyl)benzamide Formula: C27H28N2O2S MolecularWeight: 444.58842

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=CC=CC=C2N1C(=S)NC(=O)C3=CC(=CC=C3)OC)(C)C4=CC=CC=C4)C

Isomeric SMILES

CC1(CC(C2=CC=CC=C2N1C(=S)NC(=O)C3=CC(=CC=C3)OC)(C)C4=CC=CC=C4)C

InChI

InChI=1S/C27H28N2O2S/c1-26(2)18-27(3,20-12-6-5-7-13-20)22-15-8-9-16-23(22)29(26)25(32)28-24(30)19-11-10-14-21(17-19)31-4/h5-17H,18H2,1-4H3,(H,28,30,32)