[(8-oxidanylidene-8-phenylazanyl-octanoyl)amino] 4-(3-sulfanylidene-1,2-dithiol-4-yl)benzoate

Systemtic Name: [(8-oxidanylidene-8-phenylazanyl-octanoyl)amino] 4-(3-sulfanylidene-1,2-dithiol-4-yl)benzoate Openeye Name: [(8-anilino-8-oxo-octanoyl)amino] 4-(3-thioxodithiol-4-yl)benzoate CAS Name: 4-(3-sulfanylidene-4-dithiolyl)benzoic acid [(8-anilino-1,8-dioxooctyl)amino] ester IUPAC Name: [(8-anilino-8-oxooctanoyl)amino] 4-(3-sulfanylidenedithiol-4-yl)benzoate Traditional Name: 4-(3-thioxodithiol-4-yl)benzoic acid [(8-anilino-8-keto-octanoyl)amino] ester Formula: C24H24N2O4S3 MolecularWeight: 500.65336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NOC(=O)C2=CC=C(C=C2)C3=CSSC3=S

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NOC(=O)C2=CC=C(C=C2)C3=CSSC3=S

InChI

InChI=1S/C24H24N2O4S3/c27-21(25-19-8-4-3-5-9-19)10-6-1-2-7-11-22(28)26-30-23(29)18-14-12-17(13-15-18)20-16-32-33-24(20)31/h3-5,8-9,12-16H,1-2,6-7,10-11H2,(H,25,27)(H,26,28)