N-[[4-chloranyl-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[[4-chloranyl-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[[4-chloro-3-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[[4-chloro-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[[4-chloro-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[[4-chloro-3-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C26H22ClN3O4S MolecularWeight: 507.98858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC5=C(C=C4)OCCO5)Cl

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC5=C(C=C4)OCCO5)Cl

InChI

InChI=1S/C26H22ClN3O4S/c1-14(2)15-3-7-21-20(11-15)29-25(34-21)18-13-17(5-6-19(18)27)28-26(35)30-24(31)16-4-8-22-23(12-16)33-10-9-32-22/h3-8,11-14H,9-10H2,1-2H3,(H2,28,30,31,35)