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

Systemtic Name: 3-bromanyl-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]-4-propan-2-yloxy-benzamide Openeye Name: 3-bromo-4-isopropoxy-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[2-[(3-methoxypropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-propan-2-yloxybenzamide IUPAC Name: 3-bromo-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide Traditional Name: 3-bromo-4-isopropoxy-N-[[2-(3-methoxypropylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C22H26BrN3O4S MolecularWeight: 508.42854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCCOC)Br

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCCOC)Br

InChI

InChI=1S/C22H26BrN3O4S/c1-14(2)30-19-10-9-15(13-17(19)23)20(27)26-22(31)25-18-8-5-4-7-16(18)21(28)24-11-6-12-29-3/h4-5,7-10,13-14H,6,11-12H2,1-3H3,(H,24,28)(H2,25,26,27,31)