3-propan-2-yloxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-propan-2-yloxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-isopropoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 3-propan-2-yloxy-N-[[4-(1-pyrrolidinylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-propan-2-yloxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-isopropoxy-N-[[4-(pyrrolidinomethyl)phenyl]thiocarbamoyl]benzamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCCC3

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCCC3

InChI

InChI=1S/C22H27N3O2S/c1-16(2)27-20-7-5-6-18(14-20)21(26)24-22(28)23-19-10-8-17(9-11-19)15-25-12-3-4-13-25/h5-11,14,16H,3-4,12-13,15H2,1-2H3,(H2,23,24,26,28)