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

Systemtic Name: N-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl]-3-propan-2-yloxy-benzamide Openeye Name: 3-isopropoxy-N-[[4-(1-piperidylmethyl)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-(1-piperidinylmethyl)anilino]-sulfanylidenemethyl]-3-propan-2-yloxybenzamide IUPAC Name: N-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl]-3-propan-2-yloxybenzamide Traditional Name: 3-isopropoxy-N-[[4-(piperidinomethyl)phenyl]thiocarbamoyl]benzamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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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)CN3CCCCC3

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCCCC3

InChI

InChI=1S/C23H29N3O2S/c1-17(2)28-21-8-6-7-19(15-21)22(27)25-23(29)24-20-11-9-18(10-12-20)16-26-13-4-3-5-14-26/h6-12,15,17H,3-5,13-14,16H2,1-2H3,(H2,24,25,27,29)