4-(2-methylpropoxy)-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide

Systemtic Name: 4-(2-methylpropoxy)-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Openeye Name: 4-isobutoxy-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide CAS Name: 4-(2-methylpropoxy)-N-[[2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-(2-methylpropoxy)-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 4-isobutoxy-N-[(2-pyrrolidinophenyl)thiocarbamoyl]benzamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCCC3

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCCC3

InChI

InChI=1S/C22H27N3O2S/c1-16(2)15-27-18-11-9-17(10-12-18)21(26)24-22(28)23-19-7-3-4-8-20(19)25-13-5-6-14-25/h3-4,7-12,16H,5-6,13-15H2,1-2H3,(H2,23,24,26,28)