3-bromanyl-4-methyl-N-[[2-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-methyl-N-[[2-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-methyl-N-[[2-(tetrahydrofuran-2-ylmethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-methyl-N-[[2-[oxo-(2-oxolanylmethylamino)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-methyl-N-[[2-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-methyl-N-[[2-(tetrahydrofurfurylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C21H22BrN3O3S MolecularWeight: 476.38668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3CCCO3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3CCCO3)Br

InChI

InChI=1S/C21H22BrN3O3S/c1-13-8-9-14(11-17(13)22)19(26)25-21(29)24-18-7-3-2-6-16(18)20(27)23-12-15-5-4-10-28-15/h2-3,6-9,11,15H,4-5,10,12H2,1H3,(H,23,27)(H2,24,25,26,29)