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

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

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

Isomeric SMILES

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

InChI

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