methyl 2-[4-(cycloheptylcarbamothioylamino)phenyl]ethanoate

Systemtic Name: methyl 2-[4-(cycloheptylcarbamothioylamino)phenyl]ethanoate Openeye Name: methyl 2-[4-(cycloheptylcarbamothioylamino)phenyl]acetate CAS Name: 2-[4-[[(cycloheptylamino)-sulfanylidenemethyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(cycloheptylcarbamothioylamino)phenyl]acetate Traditional Name: 2-[4-(cycloheptylthiocarbamoylamino)phenyl]acetic acid methyl ester Formula: C17H24N2O2S MolecularWeight: 320.44966

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)NC(=S)NC2CCCCCC2

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)NC(=S)NC2CCCCCC2

InChI

InChI=1S/C17H24N2O2S/c1-21-16(20)12-13-8-10-15(11-9-13)19-17(22)18-14-6-4-2-3-5-7-14/h8-11,14H,2-7,12H2,1H3,(H2,18,19,22)