N-[1-(1,3-benzothiazol-2-ylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[1-(1,3-benzothiazol-2-ylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[1-(1,3-benzothiazol-2-ylcarbamoyl)-3-methylsulfanyl-propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[1-(1,3-benzothiazol-2-ylamino)-4-(methylthio)-1-oxobutan-2-yl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[1-(1,3-benzothiazol-2-ylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[1-(1,3-benzothiazol-2-ylcarbamoyl)-3-(methylthio)propyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=NC2=CC=CC=C2S1)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CSCCC(C(=O)NC1=NC2=CC=CC=C2S1)NC(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H21N3O4S2/c1-29-11-10-14(19(25)24-21-23-13-6-2-5-9-18(13)30-21)22-20(26)17-12-27-15-7-3-4-8-16(15)28-17/h2-9,14,17H,10-12H2,1H3,(H,22,26)(H,23,24,25)