butyl 4-[2-[2-[(2-chlorophenyl)methylsulfanyl]-6-oxidanylidene-4-phenyl-pyrimidin-1-yl]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[2-[(2-chlorophenyl)methylsulfanyl]-6-oxidanylidene-4-phenyl-pyrimidin-1-yl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-[2-[(2-chlorophenyl)methylsulfanyl]-6-oxo-4-phenyl-pyrimidin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[2-[(2-chlorophenyl)methylthio]-6-oxo-4-phenyl-1-pyrimidinyl]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[2-[(2-chlorophenyl)methylsulfanyl]-6-oxo-4-phenylpyrimidin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[2-[(2-chlorobenzyl)thio]-6-keto-4-phenyl-pyrimidin-1-yl]acetyl]amino]benzoic acid butyl ester Formula: C30H28ClN3O4S MolecularWeight: 562.07902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C=C(N=C2SCC3=CC=CC=C3Cl)C4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C=C(N=C2SCC3=CC=CC=C3Cl)C4=CC=CC=C4

InChI

InChI=1S/C30H28ClN3O4S/c1-2-3-17-38-29(37)22-13-15-24(16-14-22)32-27(35)19-34-28(36)18-26(21-9-5-4-6-10-21)33-30(34)39-20-23-11-7-8-12-25(23)31/h4-16,18H,2-3,17,19-20H2,1H3,(H,32,35)