2-[5-[(4-chlorophenyl)carbonylamino]-4-[[(4-iodophenyl)amino]-morpholin-4-yl-phosphinothioyl]-3-methyl-pyrazol-1-yl]ethyl 4-chloranylbenzoate

Systemtic Name: 2-[5-[(4-chlorophenyl)carbonylamino]-4-[[(4-iodophenyl)amino]-morpholin-4-yl-phosphinothioyl]-3-methyl-pyrazol-1-yl]ethyl 4-chloranylbenzoate Openeye Name: 2-[5-[(4-chlorobenzoyl)amino]-4-[(4-iodoanilino)-morpholino-phosphinothioyl]-3-methyl-pyrazol-1-yl]ethyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid 2-[5-[[(4-chlorophenyl)-oxomethyl]amino]-4-[(4-iodoanilino)-(4-morpholinyl)phosphinothioyl]-3-methyl-1-pyrazolyl]ethyl ester IUPAC Name: 2-[5-[(4-chlorobenzoyl)amino]-4-[(4-iodoanilino)-morpholin-4-ylphosphinothioyl]-3-methylpyrazol-1-yl]ethyl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid 2-[5-[(4-chlorobenzoyl)amino]-4-[(4-iodoanilino)-morpholino-thiophosphoryl]-3-methyl-pyrazol-1-yl]ethyl ester Formula: C30H29Cl2IN5O4PS MolecularWeight: 784.431591

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1P(=S)(NC2=CC=C(C=C2)I)N3CCOCC3)NC(=O)C4=CC=C(C=C4)Cl)CCOC(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=NN(C(=C1P(=S)(NC2=CC=C(C=C2)I)N3CCOCC3)NC(=O)C4=CC=C(C=C4)Cl)CCOC(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C30H29Cl2IN5O4PS/c1-20-27(43(44,37-14-17-41-18-15-37)36-26-12-10-25(33)11-13-26)28(34-29(39)21-2-6-23(31)7-3-21)38(35-20)16-19-42-30(40)22-4-8-24(32)9-5-22/h2-13H,14-19H2,1H3,(H,34,39)(H,36,44)