1-pentyl-3-[(3-piperidin-1-ylsulfonylphenyl)carbonylamino]thiourea

Systemtic Name: 1-pentyl-3-[(3-piperidin-1-ylsulfonylphenyl)carbonylamino]thiourea Openeye Name: 1-pentyl-3-[[3-(1-piperidylsulfonyl)benzoyl]amino]thiourea CAS Name: 1-[[oxo-[3-(1-piperidinylsulfonyl)phenyl]methyl]amino]-3-pentylthiourea IUPAC Name: 1-pentyl-3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]thiourea Traditional Name: 1-amyl-3-[(3-piperidinosulfonylbenzoyl)amino]thiourea Formula: C18H28N4O3S2 MolecularWeight: 412.56992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CCCCCNC(=S)NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C18H28N4O3S2/c1-2-3-5-11-19-18(26)21-20-17(23)15-9-8-10-16(14-15)27(24,25)22-12-6-4-7-13-22/h8-10,14H,2-7,11-13H2,1H3,(H,20,23)(H2,19,21,26)