2-(4-methyl-1-phenylsulfanyl-pent-3-enyl)-5,8-bis(oxidanyl)-7-phenylazanyl-naphthalene-1,4-dione

Systemtic Name: 2-(4-methyl-1-phenylsulfanyl-pent-3-enyl)-5,8-bis(oxidanyl)-7-phenylazanyl-naphthalene-1,4-dione Openeye Name: 7-anilino-5,8-dihydroxy-2-(4-methyl-1-phenylsulfanyl-pent-3-enyl)naphthalene-1,4-dione CAS Name: 7-anilino-5,8-dihydroxy-2-[4-methyl-1-(phenylthio)pent-3-enyl]naphthalene-1,4-dione IUPAC Name: 7-anilino-5,8-dihydroxy-2-(4-methyl-1-phenylsulfanylpent-3-enyl)naphthalene-1,4-dione Traditional Name: 7-anilino-5,8-dihydroxy-2-[4-methyl-1-(phenylthio)pent-3-enyl]-1,4-naphthoquinone Formula: C28H25NO4S MolecularWeight: 471.5674

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC(C1=CC(=O)C2=C(C=C(C(=C2C1=O)O)NC3=CC=CC=C3)O)SC4=CC=CC=C4)C

Isomeric SMILES

CC(=CCC(C1=CC(=O)C2=C(C=C(C(=C2C1=O)O)NC3=CC=CC=C3)O)SC4=CC=CC=C4)C

InChI

InChI=1S/C28H25NO4S/c1-17(2)13-14-24(34-19-11-7-4-8-12-19)20-15-22(30)25-23(31)16-21(28(33)26(25)27(20)32)29-18-9-5-3-6-10-18/h3-13,15-16,24,29,31,33H,14H2,1-2H3