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

Systemtic Name: 3-bromanyl-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[[2-[(3-methoxypropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[[2-(3-methoxypropylcarbamoyl)phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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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)NCCCOC)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O3S/c1-13-8-9-14(12-16(13)21)18(25)24-20(28)23-17-7-4-3-6-15(17)19(26)22-10-5-11-27-2/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,22,26)(H2,23,24,25,28)