N-[[2-methoxy-5-[methyl(oxan-4-yl)amino]phenyl]carbamothioyl]benzamide

Systemtic Name: N-[[2-methoxy-5-[methyl(oxan-4-yl)amino]phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-methoxy-5-[methyl(tetrahydropyran-4-yl)amino]phenyl]carbamothioyl]benzamide CAS Name: N-[[2-methoxy-5-[methyl(4-oxanyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-methoxy-5-[methyl(oxan-4-yl)amino]phenyl]carbamothioyl]benzamide Traditional Name: N-[[2-methoxy-5-[methyl(tetrahydropyran-4-yl)amino]phenyl]thiocarbamoyl]benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCOCC1)C2=CC(=C(C=C2)OC)NC(=S)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CN(C1CCOCC1)C2=CC(=C(C=C2)OC)NC(=S)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3S/c1-24(16-10-12-27-13-11-16)17-8-9-19(26-2)18(14-17)22-21(28)23-20(25)15-6-4-3-5-7-15/h3-9,14,16H,10-13H2,1-2H3,(H2,22,23,25,28)