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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C19H19N5O4S2 MolecularWeight: 445.51526

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=CS4

Isomeric SMILES

CN1C(=NN=C1SCCC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=CS4

InChI

InChI=1S/C19H19N5O4S2/c1-24-17(15-3-2-9-29-15)22-23-19(24)30-10-6-16(25)21-18(26)20-12-4-5-13-14(11-12)28-8-7-27-13/h2-5,9,11H,6-8,10H2,1H3,(H2,20,21,25,26)