N,N-diethylethanamine; N-[(4-methoxyphenyl)-sulfanyl-phosphinothioyl]oxy-N-propan-2-yl-benzamide

Systemtic Name: N,N-diethylethanamine; N-[(4-methoxyphenyl)-sulfanyl-phosphinothioyl]oxy-N-propan-2-yl-benzamide Openeye Name: N,N-diethylethanamine; N-isopropyl-N-[(4-methoxyphenyl)-sulfanyl-phosphinothioyl]oxy-benzamide CAS Name: N,N-diethylethanamine; N-[mercapto-(4-methoxyphenyl)phosphinothioyl]oxy-N-propan-2-ylbenzamide IUPAC Name: N,N-diethylethanamine; N-[(4-methoxyphenyl)-sulfanylphosphinothioyl]oxy-N-propan-2-ylbenzamide Traditional Name: N-isopropyl-N-[mercapto-(4-methoxyphenyl)thiophosphoryl]oxy-benzamide; triethylamine Formula: C23H35N2O3PS2 MolecularWeight: 482.639361

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CC(C)N(C(=O)C1=CC=CC=C1)OP(=S)(C2=CC=C(C=C2)OC)S

Isomeric SMILES

CCN(CC)CC.CC(C)N(C(=O)C1=CC=CC=C1)OP(=S)(C2=CC=C(C=C2)OC)S

InChI

InChI=1S/C17H20NO3PS2.C6H15N/c1-13(2)18(17(19)14-7-5-4-6-8-14)21-22(23,24)16-11-9-15(20-3)10-12-16;1-4-7(5-2)6-3/h4-13H,1-3H3,(H,23,24);4-6H2,1-3H3