phenyl N'-cyano-N-propyl-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)carbamimidate

Systemtic Name: phenyl N'-cyano-N-propyl-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)carbamimidate Openeye Name: 3-cyano-2-phenyl-1-propyl-1-(2-thioxo-3H-1,3-benzothiazol-6-yl)isourea CAS Name: N'-cyano-N-propyl-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)carbamimidic acid phenyl ester IUPAC Name: phenyl N'-cyano-N-propyl-N-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)carbamimidate Traditional Name: 3-cyano-2-phenyl-1-propyl-1-(2-thioxo-3H-1,3-benzothiazol-6-yl)isourea Formula: C18H16N4OS2 MolecularWeight: 368.47584

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC2=C(C=C1)NC(=S)S2)C(=NC#N)OC3=CC=CC=C3

Isomeric SMILES

CCCN(C1=CC2=C(C=C1)NC(=S)S2)C(=NC#N)OC3=CC=CC=C3

InChI

InChI=1S/C18H16N4OS2/c1-2-10-22(13-8-9-15-16(11-13)25-18(24)21-15)17(20-12-19)23-14-6-4-3-5-7-14/h3-9,11H,2,10H2,1H3,(H,21,24)