3-bromanyl-N-[[2-(propan-2-ylcarbamoyl)phenyl]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[2-(propan-2-ylcarbamoyl)phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[[2-(isopropylcarbamoyl)phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[2-[oxo-(propan-2-ylamino)methyl]anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[2-(propan-2-ylcarbamoyl)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[[2-(isopropylcarbamoyl)phenyl]thiocarbamoyl]-4-propoxy-benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC(C)C)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC(C)C)Br

InChI

InChI=1S/C21H24BrN3O3S/c1-4-11-28-18-10-9-14(12-16(18)22)19(26)25-21(29)24-17-8-6-5-7-15(17)20(27)23-13(2)3/h5-10,12-13H,4,11H2,1-3H3,(H,23,27)(H2,24,25,26,29)