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

Systemtic Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-[4-[(2-methoxyphenyl)amino]phenyl]thiourea Openeye Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-[4-(2-methoxyanilino)phenyl]thiourea CAS Name: 1-[bis(1-azepanyl)-tert-butylphosphoranylidene]-3-[4-(2-methoxyanilino)phenyl]thiourea IUPAC Name: 1-[bis(azepan-1-yl)-tert-butyl-$l^{5}-phosphanylidene]-3-[4-(2-methoxyanilino)phenyl]thiourea Traditional Name: 1-[bis(azepan-1-yl)-tert-butyl-phosphoranylidene]-3-[4-(o-anisidino)phenyl]thiourea Formula: C30H46N5OPS MolecularWeight: 555.757901

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)P(=NC(=S)NC1=CC=C(C=C1)NC2=CC=CC=C2OC)(N3CCCCCC3)N4CCCCCC4

Isomeric SMILES

CC(C)(C)P(=NC(=S)NC1=CC=C(C=C1)NC2=CC=CC=C2OC)(N3CCCCCC3)N4CCCCCC4

InChI

InChI=1S/C30H46N5OPS/c1-30(2,3)37(34-21-11-5-6-12-22-34,35-23-13-7-8-14-24-35)33-29(38)32-26-19-17-25(18-20-26)31-27-15-9-10-16-28(27)36-4/h9-10,15-20,31H,5-8,11-14,21-24H2,1-4H3,(H,32,38)