methyl 2-[8-[2-(butylcarbamothioylamino)ethyl]naphthalen-2-yl]sulfanylbenzoate

Systemtic Name: methyl 2-[8-[2-(butylcarbamothioylamino)ethyl]naphthalen-2-yl]sulfanylbenzoate Openeye Name: methyl 2-[[8-[2-(butylcarbamothioylamino)ethyl]-2-naphthyl]sulfanyl]benzoate CAS Name: 2-[[8-[2-[[butylamino(sulfanylidene)methyl]amino]ethyl]-2-naphthalenyl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[8-[2-(butylcarbamothioylamino)ethyl]naphthalen-2-yl]sulfanylbenzoate Traditional Name: 2-[[8-[2-(butylthiocarbamoylamino)ethyl]-2-naphthyl]thio]benzoic acid methyl ester Formula: C25H28N2O2S2 MolecularWeight: 452.63202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NCCC1=CC=CC2=C1C=C(C=C2)SC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCCCNC(=S)NCCC1=CC=CC2=C1C=C(C=C2)SC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C25H28N2O2S2/c1-3-4-15-26-25(30)27-16-14-19-9-7-8-18-12-13-20(17-22(18)19)31-23-11-6-5-10-21(23)24(28)29-2/h5-13,17H,3-4,14-16H2,1-2H3,(H2,26,27,30)