2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-N-[(4-methoxyphenyl)amino]-C-pyridin-3-yl-carbonimidoyl]imino-ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-N-[(4-methoxyphenyl)amino]-C-pyridin-3-yl-carbonimidoyl]imino-ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-N-(4-methoxyanilino)-C-(3-pyridyl)carbonimidoyl]imino-acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[(E)-[(4-methoxyphenyl)hydrazinylidene]-(3-pyridinyl)methyl]iminoacetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(E)-N-(4-methoxyanilino)-C-pyridin-3-ylcarbonimidoyl]iminoacetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[(E)-N-(p-anisidino)-C-(3-pyridyl)carbonimidoyl]imino-acetamide Formula: C22H18N6O3S MolecularWeight: 446.48172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NN=C(C2=CN=CC=C2)N=NC(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC=C(C=C1)N/N=C(\C2=CN=CC=C2)/N=NC(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H18N6O3S/c1-30-17-10-8-16(9-11-17)25-27-21(15-5-4-12-23-13-15)28-26-20(29)14-32-22-24-18-6-2-3-7-19(18)31-22/h2-13,25H,14H2,1H3/b27-21+,28-26?