2-[4-(1,3-benzodioxol-5-yl)-6-oxidanylidene-1-phenyl-pyrimidin-2-yl]sulfanyl-N-phenyl-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)-6-oxidanylidene-1-phenyl-pyrimidin-2-yl]sulfanyl-N-phenyl-N-propan-2-yl-ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)-6-oxo-1-phenyl-pyrimidin-2-yl]sulfanyl-N-isopropyl-N-phenyl-acetamide CAS Name: 2-[[4-(1,3-benzodioxol-5-yl)-6-oxo-1-phenyl-2-pyrimidinyl]thio]-N-phenyl-N-propan-2-ylacetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)-6-oxo-1-phenylpyrimidin-2-yl]sulfanyl-N-phenyl-N-propan-2-ylacetamide Traditional Name: 2-[[4-(1,3-benzodioxol-5-yl)-6-keto-1-phenyl-pyrimidin-2-yl]thio]-N-isopropyl-N-phenyl-acetamide Formula: C28H25N3O4S MolecularWeight: 499.5808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C(=O)CSC2=NC(=CC(=O)N2C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C(=O)CSC2=NC(=CC(=O)N2C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H25N3O4S/c1-19(2)30(21-9-5-3-6-10-21)27(33)17-36-28-29-23(20-13-14-24-25(15-20)35-18-34-24)16-26(32)31(28)22-11-7-4-8-12-22/h3-16,19H,17-18H2,1-2H3