S-(7-oxidanylidene-7-phenylazanyl-heptyl) cyclohexanecarbothioate

Systemtic Name: S-(7-oxidanylidene-7-phenylazanyl-heptyl) cyclohexanecarbothioate Openeye Name: S-(7-anilino-7-oxo-heptyl) cyclohexanecarbothioate CAS Name: cyclohexanecarbothioic acid S-(7-anilino-7-oxoheptyl) ester IUPAC Name: S-(7-anilino-7-oxoheptyl) cyclohexanecarbothioate Traditional Name: cyclohexanecarbothioic acid S-(7-anilino-7-keto-heptyl) ester Formula: C20H29NO2S MolecularWeight: 347.51476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)SCCCCCCC(=O)NC2=CC=CC=C2

Isomeric SMILES

C1CCC(CC1)C(=O)SCCCCCCC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C20H29NO2S/c22-19(21-18-13-7-4-8-14-18)15-9-1-2-10-16-24-20(23)17-11-5-3-6-12-17/h4,7-8,13-14,17H,1-3,5-6,9-12,15-16H2,(H,21,22)