methyl 2-[4-(benzamidocarbamothioylamino)phenyl]ethanoate

Systemtic Name: methyl 2-[4-(benzamidocarbamothioylamino)phenyl]ethanoate Openeye Name: methyl 2-[4-(benzamidocarbamothioylamino)phenyl]acetate CAS Name: 2-[4-[[(benzoylhydrazo)-sulfanylidenemethyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(benzamidocarbamothioylamino)phenyl]acetate Traditional Name: 2-[4-(benzamidothiocarbamoylamino)phenyl]acetic acid methyl ester Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H17N3O3S/c1-23-15(21)11-12-7-9-14(10-8-12)18-17(24)20-19-16(22)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,22)(H2,18,20,24)