phenyl N-cyano-N'-(2-methyl-1,3-benzothiazol-5-yl)carbamimidate

Systemtic Name: phenyl N-cyano-N'-(2-methyl-1,3-benzothiazol-5-yl)carbamimidate Openeye Name: 1-cyano-3-(2-methyl-1,3-benzothiazol-5-yl)-2-phenyl-isourea CAS Name: N-cyano-N'-(2-methyl-1,3-benzothiazol-5-yl)carbamimidic acid phenyl ester IUPAC Name: phenyl N-cyano-N'-(2-methyl-1,3-benzothiazol-5-yl)carbamimidate Traditional Name: 1-cyano-3-(2-methyl-1,3-benzothiazol-5-yl)-2-phenyl-isourea Formula: C16H12N4OS MolecularWeight: 308.35768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)N=C(NC#N)OC3=CC=CC=C3

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)N=C(NC#N)OC3=CC=CC=C3

InChI

InChI=1S/C16H12N4OS/c1-11-19-14-9-12(7-8-15(14)22-11)20-16(18-10-17)21-13-5-3-2-4-6-13/h2-9H,1H3,(H,18,20)