5-bromanyl-N-[[4-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-2-propan-2-yloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[4-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-2-propan-2-yloxy-benzamide Openeye Name: 5-bromo-2-isopropoxy-N-[[4-(sec-butylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-N-[[4-[(butan-2-ylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-propan-2-yloxybenzamide IUPAC Name: 5-bromo-N-[[4-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide Traditional Name: 5-bromo-2-isopropoxy-N-[[4-(sec-butylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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