1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(4-iodanyl-2-methyl-phenyl)thiourea

Systemtic Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(4-iodanyl-2-methyl-phenyl)thiourea Openeye Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(4-iodo-2-methyl-phenyl)thiourea CAS Name: 1-[bis(1-azepanyl)-tert-butylphosphoranylidene]-3-(4-iodo-2-methylphenyl)thiourea IUPAC Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(4-iodo-2-methylphenyl)thiourea Traditional Name: 1-[bis(azepan-1-yl)-tert-butyl-phosphoranylidene]-3-(4-iodo-2-methyl-phenyl)thiourea Formula: C24H40IN4PS MolecularWeight: 574.544431

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=S)N=P(C(C)(C)C)(N2CCCCCC2)N3CCCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=S)N=P(C(C)(C)C)(N2CCCCCC2)N3CCCCCC3

InChI

InChI=1S/C24H40IN4PS/c1-20-19-21(25)13-14-22(20)26-23(31)27-30(24(2,3)4,28-15-9-5-6-10-16-28)29-17-11-7-8-12-18-29/h13-14,19H,5-12,15-18H2,1-4H3,(H,26,31)