S-(7-oxidanylidene-7-phenylazanyl-heptyl) 4-nitrobenzenecarbothioate

Systemtic Name: S-(7-oxidanylidene-7-phenylazanyl-heptyl) 4-nitrobenzenecarbothioate Openeye Name: S-(7-anilino-7-oxo-heptyl) 4-nitrobenzenecarbothioate CAS Name: 4-nitrobenzenecarbothioic acid S-(7-anilino-7-oxoheptyl) ester IUPAC Name: S-(7-anilino-7-oxoheptyl) 4-nitrobenzenecarbothioate Traditional Name: 4-nitrothiobenzoic acid S-(7-anilino-7-keto-heptyl) ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CCCCCCSC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CCCCCCSC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O4S/c23-19(21-17-8-4-3-5-9-17)10-6-1-2-7-15-27-20(24)16-11-13-18(14-12-16)22(25)26/h3-5,8-9,11-14H,1-2,6-7,10,15H2,(H,21,23)