5-bromanyl-N-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-methoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[[3-[(dipropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[[3-(dipropylcarbamoyl)phenyl]thiocarbamoyl]-2-methoxy-benzamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C22H26BrN3O3S/c1-4-11-26(12-5-2)21(28)15-7-6-8-17(13-15)24-22(30)25-20(27)18-14-16(23)9-10-19(18)29-3/h6-10,13-14H,4-5,11-12H2,1-3H3,(H2,24,25,27,30)