N-[(2-piperidin-1-ylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[(2-piperidin-1-ylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[[2-(1-piperidyl)phenyl]carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[[2-(1-piperidinyl)anilino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[(2-piperidin-1-ylphenyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[(2-piperidinophenyl)thiocarbamoyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H23N3O3S/c25-20(15-8-9-18-19(14-15)27-13-12-26-18)23-21(28)22-16-6-2-3-7-17(16)24-10-4-1-5-11-24/h2-3,6-9,14H,1,4-5,10-13H2,(H2,22,23,25,28)