1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-[2-chloranyl-5-[(2-chlorophenyl)sulfamoyl]phenyl]thiourea

Systemtic Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-[2-chloranyl-5-[(2-chlorophenyl)sulfamoyl]phenyl]thiourea Openeye Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-[2-chloro-5-[(2-chlorophenyl)sulfamoyl]phenyl]thiourea CAS Name: 1-[bis(1-azepanyl)-tert-butylphosphoranylidene]-3-[2-chloro-5-[(2-chlorophenyl)sulfamoyl]phenyl]thiourea IUPAC Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-[2-chloro-5-[(2-chlorophenyl)sulfamoyl]phenyl]thiourea Traditional Name: 1-[bis(azepan-1-yl)-tert-butyl-phosphoranylidene]-3-[2-chloro-5-[(2-chlorophenyl)sulfamoyl]phenyl]thiourea Formula: C29H42Cl2N5O2PS2 MolecularWeight: 658.685841

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)P(=NC(=S)NC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=CC=C2Cl)Cl)(N3CCCCCC3)N4CCCCCC4

Isomeric SMILES

CC(C)(C)P(=NC(=S)NC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=CC=C2Cl)Cl)(N3CCCCCC3)N4CCCCCC4

InChI

InChI=1S/C29H42Cl2N5O2PS2/c1-29(2,3)39(35-18-10-4-5-11-19-35,36-20-12-6-7-13-21-36)33-28(40)32-27-22-23(16-17-25(27)31)41(37,38)34-26-15-9-8-14-24(26)30/h8-9,14-17,22,34H,4-7,10-13,18-21H2,1-3H3,(H,32,40)