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

Systemtic Name: 3-bromanyl-4-methyl-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-methyl-N-[[3-(tetrahydrofuran-2-ylmethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-methyl-N-[[3-[oxo-(2-oxolanylmethylamino)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-methyl-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-methyl-N-[[3-(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(=C2)C(=O)NCC3CCCO3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3CCCO3)Br

InChI

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