1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(naphthalen-2-ylamino)thiourea

Systemtic Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(naphthalen-2-ylamino)thiourea Openeye Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(2-naphthylamino)thiourea CAS Name: 1-[bis(1-azepanyl)-tert-butylphosphoranylidene]-3-(2-naphthalenylamino)thiourea IUPAC Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-(naphthalen-2-ylamino)thiourea Traditional Name: 1-[bis(azepan-1-yl)-tert-butyl-phosphoranylidene]-3-(2-naphthylamino)thiourea Formula: C27H42N5PS MolecularWeight: 499.694641

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)P(=NC(=S)NNC1=CC2=CC=CC=C2C=C1)(N3CCCCCC3)N4CCCCCC4

Isomeric SMILES

CC(C)(C)P(=NC(=S)NNC1=CC2=CC=CC=C2C=C1)(N3CCCCCC3)N4CCCCCC4

InChI

InChI=1S/C27H42N5PS/c1-27(2,3)33(31-18-10-4-5-11-19-31,32-20-12-6-7-13-21-32)30-26(34)29-28-25-17-16-23-14-8-9-15-24(23)22-25/h8-9,14-17,22,28H,4-7,10-13,18-21H2,1-3H3,(H,29,34)