2-[8-[2-(cyclobutylcarbamothioylamino)ethyl]naphthalen-2-yl]-6-prop-2-enyl-thiobenzate

Systemtic Name: 2-[8-[2-(cyclobutylcarbamothioylamino)ethyl]naphthalen-2-yl]-6-prop-2-enyl-thiobenzate Openeye Name: 2-allyl-6-[8-[2-(cyclobutylcarbamothioylamino)ethyl]-2-naphthyl]thiobenzate CAS Name: 2-[8-[2-[[(cyclobutylamino)-sulfanylidenemethyl]amino]ethyl]-2-naphthalenyl]-6-prop-2-enylthiobenzate IUPAC Name: 2-[8-[2-(cyclobutylcarbamothioylamino)ethyl]naphthalen-2-yl]-6-prop-2-enylthiobenzate Traditional Name: 2-allyl-6-[8-[2-(cyclobutylthiocarbamoylamino)ethyl]-2-naphthyl]thiobenzate Formula: C27H27N2OS2- MolecularWeight: 459.64608

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC(=C1C(=S)[O-])C2=CC3=C(C=CC=C3CCNC(=S)NC4CCC4)C=C2

Isomeric SMILES

C=CCC1=CC=CC(=C1C(=S)[O-])C2=CC3=C(C=CC=C3CCNC(=S)NC4CCC4)C=C2

InChI

InChI=1S/C27H28N2OS2/c1-2-6-20-9-4-12-23(25(20)26(30)31)21-14-13-18-7-3-8-19(24(18)17-21)15-16-28-27(32)29-22-10-5-11-22/h2-4,7-9,12-14,17,22H,1,5-6,10-11,15-16H2,(H,30,31)(H2,28,29,32)/p-1