3-bromanyl-4-butoxy-N-[(2-pyrrolidin-1-ylcarbonylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[(2-pyrrolidin-1-ylcarbonylphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[2-[oxo(1-pyrrolidinyl)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[2-(pyrrolidine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C23H26BrN3O3S MolecularWeight: 504.43984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCC3)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCC3)Br

InChI

InChI=1S/C23H26BrN3O3S/c1-2-3-14-30-20-11-10-16(15-18(20)24)21(28)26-23(31)25-19-9-5-4-8-17(19)22(29)27-12-6-7-13-27/h4-5,8-11,15H,2-3,6-7,12-14H2,1H3,(H2,25,26,28,31)