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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC(C)CCNC(=S)NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C18H28N4O3S2/c1-14(2)9-10-19-18(26)21-20-17(23)15-7-6-8-16(13-15)27(24,25)22-11-4-3-5-12-22/h6-8,13-14H,3-5,9-12H2,1-2H3,(H,20,23)(H2,19,21,26)