1-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylamino]-3-[3-(dimethylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylamino]-3-[3-(dimethylsulfamoyl)phenyl]thiourea Openeye Name: 1-[[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]amino]-3-[3-(dimethylsulfamoyl)phenyl]thiourea CAS Name: 1-[[[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-oxomethyl]amino]-3-[3-(dimethylsulfamoyl)phenyl]thiourea IUPAC Name: 1-[[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]amino]-3-[3-(dimethylsulfamoyl)phenyl]thiourea Traditional Name: 1-[[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]amino]-3-[3-(dimethylsulfamoyl)phenyl]thiourea Formula: C23H31N5O6S3 MolecularWeight: 569.71714

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C23H31N5O6S3/c1-27(2)36(30,31)18-10-8-9-17(15-18)24-23(35)26-25-22(29)20-16-19(11-12-21(20)34-3)37(32,33)28-13-6-4-5-7-14-28/h8-12,15-16H,4-7,13-14H2,1-3H3,(H,25,29)(H2,24,26,35)