[(8-oxidanylidene-8-phenylazanyl-octanoyl)amino] 2-sulfanylidene-1,3-dithiole-4-carboxylate

Systemtic Name: [(8-oxidanylidene-8-phenylazanyl-octanoyl)amino] 2-sulfanylidene-1,3-dithiole-4-carboxylate Openeye Name: [(8-anilino-8-oxo-octanoyl)amino] 2-thioxo-1,3-dithiole-4-carboxylate CAS Name: 2-sulfanylidene-1,3-dithiole-4-carboxylic acid [(8-anilino-1,8-dioxooctyl)amino] ester IUPAC Name: [(8-anilino-8-oxooctanoyl)amino] 2-sulfanylidene-1,3-dithiole-4-carboxylate Traditional Name: 2-thioxo-1,3-dithiole-4-carboxylic acid [(8-anilino-8-keto-octanoyl)amino] ester Formula: C18H20N2O4S3 MolecularWeight: 424.5574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NOC(=O)C2=CSC(=S)S2

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NOC(=O)C2=CSC(=S)S2

InChI

InChI=1S/C18H20N2O4S3/c21-15(19-13-8-4-3-5-9-13)10-6-1-2-7-11-16(22)20-24-17(23)14-12-26-18(25)27-14/h3-5,8-9,12H,1-2,6-7,10-11H2,(H,19,21)(H,20,22)