1-(3-chloranyl-2-methyl-phenyl)-3-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]thiourea

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-3-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]thiourea Openeye Name: 1-(3-chloro-2-methyl-phenyl)-3-[[4-methyl-3-(1-piperidylsulfonyl)benzoyl]amino]thiourea CAS Name: 1-(3-chloro-2-methylphenyl)-3-[[[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]thiourea Traditional Name: 1-(3-chloro-2-methyl-phenyl)-3-[(4-methyl-3-piperidinosulfonyl-benzoyl)amino]thiourea Formula: C21H25ClN4O3S2 MolecularWeight: 481.0312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NNC(=S)NC2=C(C(=CC=C2)Cl)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NNC(=S)NC2=C(C(=CC=C2)Cl)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H25ClN4O3S2/c1-14-9-10-16(13-19(14)31(28,29)26-11-4-3-5-12-26)20(27)24-25-21(30)23-18-8-6-7-17(22)15(18)2/h6-10,13H,3-5,11-12H2,1-2H3,(H,24,27)(H2,23,25,30)