S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 4-nitrobenzenecarbothioate

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 4-nitrobenzenecarbothioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] 4-nitrobenzenecarbothioate CAS Name: 4-nitrobenzenecarbothioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] 4-nitrobenzenecarbothioate Traditional Name: 4-nitrothiobenzoic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCNC(=O)/C=C/SC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C18H24N2O4S/c1-2-3-4-5-6-7-13-19-17(21)12-14-25-18(22)15-8-10-16(11-9-15)20(23)24/h8-12,14H,2-7,13H2,1H3,(H,19,21)/b14-12+