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

Systemtic Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea Openeye Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea CAS Name: 1-[bis(1-azepanyl)-tert-butylphosphoranylidene]-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea IUPAC Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea Traditional Name: 1-[bis(azepan-1-yl)-tert-butyl-phosphoranylidene]-3-[4-[ethyl(2-hydroxyethyl)amino]phenyl]thiourea Formula: C27H48N5OPS MolecularWeight: 521.741681

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCO)C1=CC=C(C=C1)NC(=S)N=P(C(C)(C)C)(N2CCCCCC2)N3CCCCCC3

Isomeric SMILES

CCN(CCO)C1=CC=C(C=C1)NC(=S)N=P(C(C)(C)C)(N2CCCCCC2)N3CCCCCC3

InChI

InChI=1S/C27H48N5OPS/c1-5-30(22-23-33)25-16-14-24(15-17-25)28-26(35)29-34(27(2,3)4,31-18-10-6-7-11-19-31)32-20-12-8-9-13-21-32/h14-17,33H,5-13,18-23H2,1-4H3,(H,28,35)