3-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propanamide

Systemtic Name: 3-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propanamide Openeye Name: 3-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propanamide CAS Name: 3-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]propanamide IUPAC Name: 3-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propanamide Traditional Name: 3-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propionamide Formula: C19H23N5O4S MolecularWeight: 417.48202

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3)C4CC4

Isomeric SMILES

CCN1C(=NN=C1SCCC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3)C4CC4

InChI

InChI=1S/C19H23N5O4S/c1-2-24-17(12-3-4-12)22-23-19(24)29-10-7-16(25)21-18(26)20-13-5-6-14-15(11-13)28-9-8-27-14/h5-6,11-12H,2-4,7-10H2,1H3,(H2,20,21,25,26)