2-[2-chloranyl-4-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)-5-ethoxy-phenoxy]ethanamide

Systemtic Name: 2-[2-chloranyl-4-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)-5-ethoxy-phenoxy]ethanamide Openeye Name: 2-[2-chloro-4-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)-5-ethoxy-phenoxy]acetamide CAS Name: 2-[2-chloro-4-[[(1-cyclohexa-1,5-dienylamino)-sulfanylidenemethyl]amino]-5-ethoxyphenoxy]acetamide IUPAC Name: 2-[2-chloro-4-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)-5-ethoxyphenoxy]acetamide Traditional Name: 2-[2-chloro-4-(cyclohexa-1,5-dien-1-ylthiocarbamoylamino)-5-ethoxy-phenoxy]acetamide Formula: C17H20ClN3O3S MolecularWeight: 381.877

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=S)NC2=CCCC=C2)Cl)OCC(=O)N

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=S)NC2=CCCC=C2)Cl)OCC(=O)N

InChI

InChI=1S/C17H20ClN3O3S/c1-2-23-15-9-14(24-10-16(19)22)12(18)8-13(15)21-17(25)20-11-6-4-3-5-7-11/h4,6-9H,2-3,5,10H2,1H3,(H2,19,22)(H2,20,21,25)