S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] N,N-diphenylcarbamothioate

Systemtic Name: S-[(E)-3-(octylamino)-3-oxidanylidene-prop-1-enyl] N,N-diphenylcarbamothioate Openeye Name: S-[(E)-3-(octylamino)-3-oxo-prop-1-enyl] N,N-diphenylcarbamothioate CAS Name: N,N-diphenylcarbamothioic acid S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] ester IUPAC Name: S-[(E)-3-(octylamino)-3-oxoprop-1-enyl] N,N-diphenylcarbamothioate Traditional Name: N,N-diphenylthiocarbamic acid S-[(E)-3-keto-3-(octylamino)prop-1-enyl] ester Formula: C24H30N2O2S MolecularWeight: 410.5722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C=CSC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCNC(=O)/C=C/SC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C24H30N2O2S/c1-2-3-4-5-6-13-19-25-23(27)18-20-29-24(28)26(21-14-9-7-10-15-21)22-16-11-8-12-17-22/h7-12,14-18,20H,2-6,13,19H2,1H3,(H,25,27)/b20-18+