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

Systemtic Name: 1-[2-(azepan-1-yl)ethyl]-3-[5-(diethylsulfamoyl)-2-methyl-phenyl]thiourea Openeye Name: 1-[2-(azepan-1-yl)ethyl]-3-[5-(diethylsulfamoyl)-2-methyl-phenyl]thiourea CAS Name: 1-[2-(1-azepanyl)ethyl]-3-[5-(diethylsulfamoyl)-2-methylphenyl]thiourea IUPAC Name: 1-[2-(azepan-1-yl)ethyl]-3-[5-(diethylsulfamoyl)-2-methylphenyl]thiourea Traditional Name: 1-[2-(azepan-1-yl)ethyl]-3-[5-(diethylsulfamoyl)-2-methyl-phenyl]thiourea Formula: C20H34N4O2S2 MolecularWeight: 426.63956

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)NCCN2CCCCCC2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)NCCN2CCCCCC2

InChI

InChI=1S/C20H34N4O2S2/c1-4-24(5-2)28(25,26)18-11-10-17(3)19(16-18)22-20(27)21-12-15-23-13-8-6-7-9-14-23/h10-11,16H,4-9,12-15H2,1-3H3,(H2,21,22,27)