ethyl 4-[2-[3-(cycloheptylamino)-3-oxidanylidene-propyl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-(cycloheptylamino)-3-oxidanylidene-propyl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-(cycloheptylamino)-3-oxo-propyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[3-(cycloheptylamino)-3-oxopropyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-(cycloheptylamino)-3-oxopropyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-(cycloheptylamino)-3-keto-propyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H30N2O4S MolecularWeight: 406.5389

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCCC(=O)NC2CCCCCC2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCCC(=O)NC2CCCCCC2

InChI

InChI=1S/C21H30N2O4S/c1-2-27-21(26)16-9-11-18(12-10-16)23-20(25)15-28-14-13-19(24)22-17-7-5-3-4-6-8-17/h9-12,17H,2-8,13-15H2,1H3,(H,22,24)(H,23,25)