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

Systemtic Name: N-[[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[[5-(5-isopropyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[[5-(5-isopropyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C(C)C)NC(=S)NC(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C(C)C)NC(=S)NC(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C27H25N3O4S/c1-15(2)17-6-8-22-21(12-17)28-26(34-22)19-5-4-16(3)20(13-19)29-27(35)30-25(31)18-7-9-23-24(14-18)33-11-10-32-23/h4-9,12-15H,10-11H2,1-3H3,(H2,29,30,31,35)