S-(7-oxidanylidene-7-phenylazanyl-heptyl) 2,2-dimethylpropanethioate

Systemtic Name: S-(7-oxidanylidene-7-phenylazanyl-heptyl) 2,2-dimethylpropanethioate Openeye Name: S-(7-anilino-7-oxo-heptyl) 2,2-dimethylpropanethioate CAS Name: 2,2-dimethylpropanethioic acid S-(7-anilino-7-oxoheptyl) ester IUPAC Name: S-(7-anilino-7-oxoheptyl) 2,2-dimethylpropanethioate Traditional Name: 2,2-dimethylpropanethioic acid S-(7-anilino-7-keto-heptyl) ester Formula: C18H27NO2S MolecularWeight: 321.47748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)SCCCCCCC(=O)NC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)C(=O)SCCCCCCC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C18H27NO2S/c1-18(2,3)17(21)22-14-10-5-4-9-13-16(20)19-15-11-7-6-8-12-15/h6-8,11-12H,4-5,9-10,13-14H2,1-3H3,(H,19,20)