ethyl N-[3-[(4-bromophenyl)methylidene]-2-piperidin-1-yl-cyclopenten-1-yl]carbothioylcarbamate

Systemtic Name: ethyl N-[3-[(4-bromophenyl)methylidene]-2-piperidin-1-yl-cyclopenten-1-yl]carbothioylcarbamate Openeye Name: ethyl N-[3-[(4-bromophenyl)methylene]-2-(1-piperidyl)cyclopentene-1-carbothioyl]carbamate CAS Name: N-[[3-[(4-bromophenyl)methylidene]-2-(1-piperidinyl)-1-cyclopentenyl]-sulfanylidenemethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[3-[(4-bromophenyl)methylidene]-2-piperidin-1-ylcyclopentene-1-carbothioyl]carbamate Traditional Name: N-[3-(4-bromobenzylidene)-2-piperidino-cyclopentene-1-carbothioyl]carbamic acid ethyl ester Formula: C21H25BrN2O2S MolecularWeight: 449.4044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)C1=C(C(=CC2=CC=C(C=C2)Br)CC1)N3CCCCC3

Isomeric SMILES

CCOC(=O)NC(=S)C1=C(C(=CC2=CC=C(C=C2)Br)CC1)N3CCCCC3

InChI

InChI=1S/C21H25BrN2O2S/c1-2-26-21(25)23-20(27)18-11-8-16(14-15-6-9-17(22)10-7-15)19(18)24-12-4-3-5-13-24/h6-7,9-10,14H,2-5,8,11-13H2,1H3,(H,23,25,27)