3,5-bis(bromanyl)-2-methoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide

Systemtic Name: 3,5-bis(bromanyl)-2-methoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Openeye Name: 3,5-dibromo-2-methoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide CAS Name: 3,5-dibromo-2-methoxy-N-[[2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dibromo-2-methoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 3,5-dibromo-2-methoxy-N-[(2-pyrrolidinophenyl)thiocarbamoyl]benzamide Formula: C19H19Br2N3O2S MolecularWeight: 513.24606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=CC=CC=C2N3CCCC3)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=CC=CC=C2N3CCCC3)Br)Br

InChI

InChI=1S/C19H19Br2N3O2S/c1-26-17-13(10-12(20)11-14(17)21)18(25)23-19(27)22-15-6-2-3-7-16(15)24-8-4-5-9-24/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H2,22,23,25,27)