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

Systemtic Name: 3-bromanyl-4-methyl-N-[(4-pyrrolidin-1-ylcarbonylphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-methyl-N-[[4-[oxo(1-pyrrolidinyl)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C20H20BrN3O2S MolecularWeight: 446.3607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCC3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCC3)Br

InChI

InChI=1S/C20H20BrN3O2S/c1-13-4-5-15(12-17(13)21)18(25)23-20(27)22-16-8-6-14(7-9-16)19(26)24-10-2-3-11-24/h4-9,12H,2-3,10-11H2,1H3,(H2,22,23,25,27)