3-[4-(4-chlorophenyl)cyclohexyl]-4-oxidanyl-naphthalene-1,2-dione; pyrrolidin-1-ylcarbamodithioic acid

Systemtic Name: 3-[4-(4-chlorophenyl)cyclohexyl]-4-oxidanyl-naphthalene-1,2-dione; pyrrolidin-1-ylcarbamodithioic acid Openeye Name: 3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxy-naphthalene-1,2-dione; pyrrolidin-1-ylcarbamodithioic acid CAS Name: 3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxynaphthalene-1,2-dione; 1-pyrrolidinylcarbamodithioic acid IUPAC Name: 3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxynaphthalene-1,2-dione; pyrrolidin-1-ylcarbamodithioic acid Traditional Name: 3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxy-1,2-naphthoquinone; pyrrolidinocarbamodithioic acid Formula: C27H29ClN2O3S2 MolecularWeight: 529.11376

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)NC(=S)S.C1CC(CCC1C2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4C(=O)C3=O)O

Isomeric SMILES

C1CCN(C1)NC(=S)S.C1CC(CCC1C2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4C(=O)C3=O)O

InChI

InChI=1S/C22H19ClO3.C5H10N2S2/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26;8-5(9)6-7-3-1-2-4-7/h1-4,9-13,15,24H,5-8H2;1-4H2,(H2,6,8,9)