1-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-[5-(dimethylsulfamoyl)-2-methyl-phenyl]thiourea

Systemtic Name: 1-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-[5-(dimethylsulfamoyl)-2-methyl-phenyl]thiourea Openeye Name: 1-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-[5-(dimethylsulfamoyl)-2-methyl-phenyl]thiourea CAS Name: 1-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-[5-(dimethylsulfamoyl)-2-methylphenyl]thiourea IUPAC Name: 1-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-[5-(dimethylsulfamoyl)-2-methylphenyl]thiourea Traditional Name: 1-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-[5-(dimethylsulfamoyl)-2-methyl-phenyl]thiourea Formula: C23H32N4O4S3 MolecularWeight: 524.71958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)NC2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H32N4O4S3/c1-17-10-12-20(33(28,29)26(3)4)16-21(17)25-23(32)24-19-11-9-18(2)22(15-19)34(30,31)27-13-7-5-6-8-14-27/h9-12,15-16H,5-8,13-14H2,1-4H3,(H2,24,25,32)