1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(3-pyrrolidin-1-ylsulfonylphenyl)thiourea

Systemtic Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(3-pyrrolidin-1-ylsulfonylphenyl)thiourea Openeye Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(3-pyrrolidin-1-ylsulfonylphenyl)thiourea CAS Name: 1-[bis(1-azepanyl)-tert-butylphosphoranylidene]-3-[3-(1-pyrrolidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(3-pyrrolidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-[bis(azepan-1-yl)-tert-butyl-phosphoranylidene]-3-(3-pyrrolidinosulfonylphenyl)thiourea Formula: C27H46N5O2PS2 MolecularWeight: 567.790201

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)P(=NC(=S)NC1=CC(=CC=C1)S(=O)(=O)N2CCCC2)(N3CCCCCC3)N4CCCCCC4

Isomeric SMILES

CC(C)(C)P(=NC(=S)NC1=CC(=CC=C1)S(=O)(=O)N2CCCC2)(N3CCCCCC3)N4CCCCCC4

InChI

InChI=1S/C27H46N5O2PS2/c1-27(2,3)35(30-17-8-4-5-9-18-30,31-19-10-6-7-11-20-31)29-26(36)28-24-15-14-16-25(23-24)37(33,34)32-21-12-13-22-32/h14-16,23H,4-13,17-22H2,1-3H3,(H,28,36)