S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]-4-chloranyl-phenyl] 9-oxidanylidenefluorene-4-carbothioate

Systemtic Name: S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]-4-chloranyl-phenyl] 9-oxidanylidenefluorene-4-carbothioate Openeye Name: S-[2-[(3-amino-3-oxo-propyl)carbamoyl]-4-chloro-phenyl] 9-oxofluorene-4-carbothioate CAS Name: 9-oxo-4-fluorenecarbothioic acid S-[2-[[(3-amino-3-oxopropyl)amino]-oxomethyl]-4-chlorophenyl] ester IUPAC Name: S-[2-[(3-amino-3-oxopropyl)carbamoyl]-4-chlorophenyl] 9-oxofluorene-4-carbothioate Traditional Name: 9-ketofluorene-4-carbothioic acid S-[2-[(3-amino-3-keto-propyl)carbamoyl]-4-chloro-phenyl] ester Formula: C24H17ClN2O4S MolecularWeight: 464.92078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(C2=O)C=CC=C3C(=O)SC4=C(C=C(C=C4)Cl)C(=O)NCCC(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(C2=O)C=CC=C3C(=O)SC4=C(C=C(C=C4)Cl)C(=O)NCCC(=O)N

InChI

InChI=1S/C24H17ClN2O4S/c25-13-8-9-19(18(12-13)23(30)27-11-10-20(26)28)32-24(31)17-7-3-6-16-21(17)14-4-1-2-5-15(14)22(16)29/h1-9,12H,10-11H2,(H2,26,28)(H,27,30)