1-methyl-3-[(3-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]thiourea

Systemtic Name: 1-methyl-3-[(3-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]thiourea Openeye Name: 1-methyl-3-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiourea CAS Name: 1-methyl-3-[[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]thiourea IUPAC Name: 1-methyl-3-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiourea Traditional Name: 1-methyl-3-[(3-pyrrolidinosulfonylbenzoyl)amino]thiourea Formula: C13H18N4O3S2 MolecularWeight: 342.43702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

CNC(=S)NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C13H18N4O3S2/c1-14-13(21)16-15-12(18)10-5-4-6-11(9-10)22(19,20)17-7-2-3-8-17/h4-6,9H,2-3,7-8H2,1H3,(H,15,18)(H2,14,16,21)