3-phenylmethoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-phenylmethoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-benzyloxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 3-phenylmethoxy-N-[[4-(1-pyrrolidinylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-phenylmethoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-benzoxy-N-[[4-(pyrrolidinomethyl)phenyl]thiocarbamoyl]benzamide Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O2S/c30-25(22-9-6-10-24(17-22)31-19-21-7-2-1-3-8-21)28-26(32)27-23-13-11-20(12-14-23)18-29-15-4-5-16-29/h1-3,6-14,17H,4-5,15-16,18-19H2,(H2,27,28,30,32)