3-bromanyl-4-butoxy-N-[[4-(dipropylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[[4-(dipropylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[4-(dipropylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[4-[(dipropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[4-(dipropylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[4-(dipropylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C25H32BrN3O3S MolecularWeight: 534.50888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N(CCC)CCC)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N(CCC)CCC)Br

InChI

InChI=1S/C25H32BrN3O3S/c1-4-7-16-32-22-13-10-19(17-21(22)26)23(30)28-25(33)27-20-11-8-18(9-12-20)24(31)29(14-5-2)15-6-3/h8-13,17H,4-7,14-16H2,1-3H3,(H2,27,28,30,33)