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

Systemtic Name: 4-tert-butyl-N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]benzamide Openeye Name: 4-tert-butyl-N-[4-(isothiocyanatomethyl)thiazol-2-yl]benzamide CAS Name: 4-tert-butyl-N-[4-(isothiocyanatomethyl)-2-thiazolyl]benzamide IUPAC Name: 4-tert-butyl-N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]benzamide Traditional Name: 4-tert-butyl-N-[4-(isothiocyanatomethyl)thiazol-2-yl]benzamide Formula: C16H17N3OS2 MolecularWeight: 331.45568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3OS2/c1-16(2,3)12-6-4-11(5-7-12)14(20)19-15-18-13(9-22-15)8-17-10-21/h4-7,9H,8H2,1-3H3,(H,18,19,20)