1-[(3-cyanophenyl)-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamothioyl]-1-propyl-urea

Systemtic Name: 1-[(3-cyanophenyl)-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamothioyl]-1-propyl-urea Openeye Name: 1-[(3-cyanophenyl)-[3-[3-(1-piperidylmethyl)phenoxy]propyl]carbamothioyl]-1-propyl-urea CAS Name: 1-[[3-cyano-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]anilino]-sulfanylidenemethyl]-1-propylurea IUPAC Name: 1-[(3-cyanophenyl)-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamothioyl]-1-propylurea Traditional Name: 1-[(3-cyanophenyl)-[3-[3-(piperidinomethyl)phenoxy]propyl]thiocarbamoyl]-1-propyl-urea Formula: C27H35N5O2S MolecularWeight: 493.6641

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(=O)N)C(=S)N(CCCOC1=CC=CC(=C1)CN2CCCCC2)C3=CC=CC(=C3)C#N

Isomeric SMILES

CCCN(C(=O)N)C(=S)N(CCCOC1=CC=CC(=C1)CN2CCCCC2)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C27H35N5O2S/c1-2-13-32(26(29)33)27(35)31(24-11-6-9-22(18-24)20-28)16-8-17-34-25-12-7-10-23(19-25)21-30-14-4-3-5-15-30/h6-7,9-12,18-19H,2-5,8,13-17,21H2,1H3,(H2,29,33)