1-[(2-nitrophenyl)-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamothioyl]-1-propyl-urea

Systemtic Name: 1-[(2-nitrophenyl)-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamothioyl]-1-propyl-urea Openeye Name: 1-[(2-nitrophenyl)-[3-[3-(1-piperidylmethyl)phenoxy]propyl]carbamothioyl]-1-propyl-urea CAS Name: 1-[[2-nitro-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]anilino]-sulfanylidenemethyl]-1-propylurea IUPAC Name: 1-[(2-nitrophenyl)-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamothioyl]-1-propylurea Traditional Name: 1-[(2-nitrophenyl)-[3-[3-(piperidinomethyl)phenoxy]propyl]thiocarbamoyl]-1-propyl-urea Formula: C26H35N5O4S MolecularWeight: 513.6522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(=O)N)C(=S)N(CCCOC1=CC=CC(=C1)CN2CCCCC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCN(C(=O)N)C(=S)N(CCCOC1=CC=CC(=C1)CN2CCCCC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C26H35N5O4S/c1-2-14-30(25(27)32)26(36)29(23-12-4-5-13-24(23)31(33)34)17-9-18-35-22-11-8-10-21(19-22)20-28-15-6-3-7-16-28/h4-5,8,10-13,19H,2-3,6-7,9,14-18,20H2,1H3,(H2,27,32)