O-[[(1Z)-1-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)dodecyl]amino] N-phenylcarbamothioate

Systemtic Name: O-[[(1Z)-1-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)dodecyl]amino] N-phenylcarbamothioate Openeye Name: O-[[(1Z)-1-(3-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)dodecyl]amino] N-phenylcarbamothioate CAS Name: N-phenylcarbamothioic acid O-[[(1Z)-1-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)dodecyl]amino] ester IUPAC Name: O-[[(1Z)-1-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)dodecyl]amino] N-phenylcarbamothioate Traditional Name: N-phenylthiocarbamic acid O-[[(1Z)-1-(6-keto-3-methyl-cyclohexa-2,4-dien-1-ylidene)dodecyl]amino] ester Formula: C26H36N2O2S MolecularWeight: 440.64124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=C1C=C(C=CC1=O)C)NOC(=S)NC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCC/C(=C/1\C=C(C=CC1=O)C)/NOC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C26H36N2O2S/c1-3-4-5-6-7-8-9-10-14-17-24(23-20-21(2)18-19-25(23)29)28-30-26(31)27-22-15-12-11-13-16-22/h11-13,15-16,18-20,28H,3-10,14,17H2,1-2H3,(H,27,31)/b24-23-