5-bromanyl-2-methoxy-3-methyl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-methoxy-3-methyl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-3-methyl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-3-methyl-N-[[4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-3-methyl-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-3-methyl-N-[(4-pyrrolidinophenyl)thiocarbamoyl]benzamide Formula: C20H22BrN3O2S MolecularWeight: 448.37658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O2S/c1-13-11-14(21)12-17(18(13)26-2)19(25)23-20(27)22-15-5-7-16(8-6-15)24-9-3-4-10-24/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,22,23,25,27)