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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[[5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide CAS Name: N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-3-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]thio]propanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-[[5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]thio]propionamide Formula: C20H21N5O4S3 MolecularWeight: 491.60684

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)NC(=O)CCSC3=NN=C(S3)NCCC4=CC=CS4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)NC(=O)CCSC3=NN=C(S3)NCCC4=CC=CS4

InChI

InChI=1S/C20H21N5O4S3/c26-17(23-18(27)22-13-3-4-15-16(12-13)29-9-8-28-15)6-11-31-20-25-24-19(32-20)21-7-5-14-2-1-10-30-14/h1-4,10,12H,5-9,11H2,(H,21,24)(H2,22,23,26,27)