N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-4-methoxy-benzamide

Systemtic Name: N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-4-methoxy-benzamide Openeye Name: N-[4-(isothiocyanatomethyl)thiazol-2-yl]-4-methoxy-benzamide CAS Name: N-[4-(isothiocyanatomethyl)-2-thiazolyl]-4-methoxybenzamide IUPAC Name: N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-4-methoxybenzamide Traditional Name: N-[4-(isothiocyanatomethyl)thiazol-2-yl]-4-methoxy-benzamide Formula: C13H11N3O2S2 MolecularWeight: 305.37534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=NC(=CS2)CN=C=S

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=NC(=CS2)CN=C=S

InChI

InChI=1S/C13H11N3O2S2/c1-18-11-4-2-9(3-5-11)12(17)16-13-15-10(7-20-13)6-14-8-19/h2-5,7H,6H2,1H3,(H,15,16,17)