1-[tert-butyl(dimorpholin-4-yl)-$l^{5}-phosphanylidene]-3-[(4-methylphenyl)carbamothioylamino]thiourea

Systemtic Name: 1-[tert-butyl(dimorpholin-4-yl)-$l^{5}-phosphanylidene]-3-[(4-methylphenyl)carbamothioylamino]thiourea Openeye Name: 1-[tert-butyl(dimorpholino)-$l^{5}-phosphanylidene]-3-(p-tolylcarbamothioylamino)thiourea CAS Name: 1-[tert-butyl-bis(4-morpholinyl)phosphoranylidene]-3-[[(4-methylanilino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-[tert-butyl(dimorpholin-4-yl)-$l^{5}-phosphanylidene]-3-[(4-methylphenyl)carbamothioylamino]thiourea Traditional Name: 1-[tert-butyl(dimorpholino)phosphoranylidene]-3-(p-tolylthiocarbamoylamino)thiourea Formula: C21H35N6O2PS2 MolecularWeight: 498.645361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NNC(=S)N=P(C(C)(C)C)(N2CCOCC2)N3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NNC(=S)N=P(C(C)(C)C)(N2CCOCC2)N3CCOCC3

InChI

InChI=1S/C21H35N6O2PS2/c1-17-5-7-18(8-6-17)22-19(31)23-24-20(32)25-30(21(2,3)4,26-9-13-28-14-10-26)27-11-15-29-16-12-27/h5-8H,9-16H2,1-4H3,(H,24,32)(H2,22,23,31)