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

Systemtic Name: 1-[3-(azepan-1-ylsulfonyl)phenyl]-3-[5-(diethylsulfamoyl)-2-methyl-phenyl]thiourea Openeye Name: 1-[3-(azepan-1-ylsulfonyl)phenyl]-3-[5-(diethylsulfamoyl)-2-methyl-phenyl]thiourea CAS Name: 1-[3-(1-azepanylsulfonyl)phenyl]-3-[5-(diethylsulfamoyl)-2-methylphenyl]thiourea IUPAC Name: 1-[3-(azepan-1-ylsulfonyl)phenyl]-3-[5-(diethylsulfamoyl)-2-methylphenyl]thiourea Traditional Name: 1-[3-(azepan-1-ylsulfonyl)phenyl]-3-[5-(diethylsulfamoyl)-2-methyl-phenyl]thiourea Formula: C24H34N4O4S3 MolecularWeight: 538.74616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N4O4S3/c1-4-27(5-2)34(29,30)22-14-13-19(3)23(18-22)26-24(33)25-20-11-10-12-21(17-20)35(31,32)28-15-8-6-7-9-16-28/h10-14,17-18H,4-9,15-16H2,1-3H3,(H2,25,26,33)