(phenylmethyl) 2-[[(4-methoxyphenyl)-(morpholin-4-ylcarbothioylamino)methylidene]amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[(4-methoxyphenyl)-(morpholin-4-ylcarbothioylamino)methylidene]amino]ethanoate Openeye Name: benzyl 2-[[(4-methoxyphenyl)-(morpholine-4-carbothioylamino)methylene]amino]acetate CAS Name: 2-[[(4-methoxyphenyl)-[[4-morpholinyl(sulfanylidene)methyl]amino]methylidene]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[(4-methoxyphenyl)-(morpholine-4-carbothioylamino)methylidene]amino]acetate Traditional Name: 2-[[(4-methoxyphenyl)-(morpholine-4-carbothioylamino)methylene]amino]acetic acid benzyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=NCC(=O)OCC2=CC=CC=C2)NC(=S)N3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)C(=NCC(=O)OCC2=CC=CC=C2)NC(=S)N3CCOCC3

InChI

InChI=1S/C22H25N3O4S/c1-27-19-9-7-18(8-10-19)21(24-22(30)25-11-13-28-14-12-25)23-15-20(26)29-16-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3,(H,23,24,30)