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

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] 4-butylbenzenecarbothioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] 4-butylbenzenecarbothioate CAS Name: 4-butylbenzenecarbothioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] 4-butylbenzenecarbothioate Traditional Name: 4-butylthiobenzoic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C22H33NO2S MolecularWeight: 375.56792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(=O)C1=CC=C(C=C1)CCCC

Isomeric SMILES

CCCCCCCCNC(=O)/C=C/SC(=O)C1=CC=C(C=C1)CCCC

InChI

InChI=1S/C22H33NO2S/c1-3-5-7-8-9-10-17-23-21(24)16-18-26-22(25)20-14-12-19(13-15-20)11-6-4-2/h12-16,18H,3-11,17H2,1-2H3,(H,23,24)/b18-16+