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

Systemtic Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propanamide Openeye Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propanamide CAS Name: 2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]propanamide IUPAC Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propanamide Traditional Name: 2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propionamide Formula: C21H26N6O4S MolecularWeight: 458.53394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NN=C(N3C4CC4)N5CCCC5

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NN=C(N3C4CC4)N5CCCC5

InChI

InChI=1S/C21H26N6O4S/c1-13(32-21-25-24-20(26-8-2-3-9-26)27(21)15-5-6-15)18(28)23-19(29)22-14-4-7-16-17(12-14)31-11-10-30-16/h4,7,12-13,15H,2-3,5-6,8-11H2,1H3,(H2,22,23,28,29)