N-[(E)-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[(E)-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[(E)-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexen-1-yl]methyleneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[(E)-[2-(1,3-benzoxazol-2-ylthio)-1-cyclohexenyl]methylideneamino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[(E)-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[(E)-[2-(1,3-benzoxazol-2-ylthio)cyclohexen-1-yl]methyleneamino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C1)C=NNC(=O)C2COC3=CC=CC=C3O2)SC4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CCC(=C(C1)/C=N/NC(=O)C2COC3=CC=CC=C3O2)SC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C23H21N3O4S/c27-22(20-14-28-18-10-4-5-11-19(18)29-20)26-24-13-15-7-1-6-12-21(15)31-23-25-16-8-2-3-9-17(16)30-23/h2-5,8-11,13,20H,1,6-7,12,14H2,(H,26,27)/b24-13+