ethyl 4-(azocan-1-ylcarbothioylamino)benzoate

Systemtic Name: ethyl 4-(azocan-1-ylcarbothioylamino)benzoate Openeye Name: ethyl 4-(azocane-1-carbothioylamino)benzoate CAS Name: 4-[[1-azocanyl(sulfanylidene)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(azocane-1-carbothioylamino)benzoate Traditional Name: 4-(azocane-1-carbothioylamino)benzoic acid ethyl ester Formula: C17H24N2O2S MolecularWeight: 320.44966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCCCCCC2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCCCCCC2

InChI

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