N-butyl-4-[2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]benzamide

Systemtic Name: N-butyl-4-[2-[8-(4-chlorophenyl)-8-oxidanylidene-octyl]sulfanyl-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]benzamide Openeye Name: N-butyl-4-[2-[8-(4-chlorophenyl)-8-oxo-octyl]sulfanyl-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]benzamide CAS Name: N-butyl-4-[2-[[8-(4-chlorophenyl)-8-oxooctyl]thio]-4-oxo-5-(5-pyrimidinylmethyl)-1-pyrimidinyl]benzamide IUPAC Name: N-butyl-4-[2-[8-(4-chlorophenyl)-8-oxooctyl]sulfanyl-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]benzamide Traditional Name: N-butyl-4-[2-[[8-(4-chlorophenyl)-8-keto-octyl]thio]-4-keto-5-(5-pyrimidylmethyl)pyrimidin-1-yl]benzamide Formula: C34H38ClN5O3S MolecularWeight: 632.21522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=C(C=C1)N2C=C(C(=O)N=C2SCCCCCCCC(=O)C3=CC=C(C=C3)Cl)CC4=CN=CN=C4

Isomeric SMILES

CCCCNC(=O)C1=CC=C(C=C1)N2C=C(C(=O)N=C2SCCCCCCCC(=O)C3=CC=C(C=C3)Cl)CC4=CN=CN=C4

InChI

InChI=1S/C34H38ClN5O3S/c1-2-3-18-38-32(42)27-12-16-30(17-13-27)40-23-28(20-25-21-36-24-37-22-25)33(43)39-34(40)44-19-8-6-4-5-7-9-31(41)26-10-14-29(35)15-11-26/h10-17,21-24H,2-9,18-20H2,1H3,(H,38,42)