[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl] N,N-dibutylcarbamodithioate

Systemtic Name: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxidanylidene-ethyl] N,N-dibutylcarbamodithioate Openeye Name: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxo-ethyl] N,N-dibutylcarbamodithioate CAS Name: N,N-dibutylcarbamodithioic acid [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] ester IUPAC Name: [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] N,N-dibutylcarbamodithioate Traditional Name: N,N-dibutylcarbamodithioic acid [2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-keto-ethyl] ester Formula: C25H32N2OS2 MolecularWeight: 440.66438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=S)SCC(=O)N1C2=CC=CC=C2CCC3=CC=CC=C31

Isomeric SMILES

CCCCN(CCCC)C(=S)SCC(=O)N1C2=CC=CC=C2CCC3=CC=CC=C31

InChI

InChI=1S/C25H32N2OS2/c1-3-5-17-26(18-6-4-2)25(29)30-19-24(28)27-22-13-9-7-11-20(22)15-16-21-12-8-10-14-23(21)27/h7-14H,3-6,15-19H2,1-2H3