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

Systemtic Name: 3-bromanyl-N-[[4-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-4-propoxy-N-[[4-(sec-butylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[4-[(butan-2-ylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[4-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-4-propoxy-N-[[4-(sec-butylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NC(C)CC)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NC(C)CC)Br

InChI

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