1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(4-piperidin-1-ylsulfonylphenyl)thiourea

Systemtic Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(4-piperidin-1-ylsulfonylphenyl)thiourea Openeye Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-[4-(1-piperidylsulfonyl)phenyl]thiourea CAS Name: 1-[bis(1-azepanyl)-tert-butylphosphoranylidene]-3-[4-(1-piperidinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(4-piperidin-1-ylsulfonylphenyl)thiourea Traditional Name: 1-[bis(azepan-1-yl)-tert-butyl-phosphoranylidene]-3-(4-piperidinosulfonylphenyl)thiourea Formula: C28H48N5O2PS2 MolecularWeight: 581.816781

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)P(=NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)(N3CCCCCC3)N4CCCCCC4

Isomeric SMILES

CC(C)(C)P(=NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)(N3CCCCCC3)N4CCCCCC4

InChI

InChI=1S/C28H48N5O2PS2/c1-28(2,3)36(31-19-9-4-5-10-20-31,32-21-11-6-7-12-22-32)30-27(37)29-25-15-17-26(18-16-25)38(34,35)33-23-13-8-14-24-33/h15-18H,4-14,19-24H2,1-3H3,(H,29,37)