3-bromanyl-4-methoxy-N-[(3-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-methoxy-N-[(3-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-methoxy-N-[(3-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-methoxy-N-[[3-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-methoxy-N-[(3-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-methoxy-N-[(3-pyrrolidinophenyl)thiocarbamoyl]benzamide Formula: C19H20BrN3O2S MolecularWeight: 434.35

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)N3CCCC3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)N3CCCC3)Br

InChI

InChI=1S/C19H20BrN3O2S/c1-25-17-8-7-13(11-16(17)20)18(24)22-19(26)21-14-5-4-6-15(12-14)23-9-2-3-10-23/h4-8,11-12H,2-3,9-10H2,1H3,(H2,21,22,24,26)