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

Systemtic Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(3,4-dimethylphenyl)thiourea Openeye Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(3,4-dimethylphenyl)thiourea CAS Name: 1-[bis(1-azepanyl)-tert-butylphosphoranylidene]-3-(3,4-dimethylphenyl)thiourea IUPAC Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(3,4-dimethylphenyl)thiourea Traditional Name: 1-[bis(azepan-1-yl)-tert-butyl-phosphoranylidene]-3-(3,4-dimethylphenyl)thiourea Formula: C25H43N4PS MolecularWeight: 462.674481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H43N4PS/c1-21-14-15-23(20-22(21)2)26-24(31)27-30(25(3,4)5,28-16-10-6-7-11-17-28)29-18-12-8-9-13-19-29/h14-15,20H,6-13,16-19H2,1-5H3,(H,26,31)