N-[(E)-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-4-nitro-benzamide bromide

Systemtic Name: N-[(E)-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-4-nitro-benzamide bromide Openeye Name: N-[(E)-[3-allyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)thiazol-2-ylidene]amino]-4-nitro-benzamide bromide CAS Name: N-[(E)-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-prop-2-enyl-2-thiazolylidene]amino]-4-nitrobenzamide bromide IUPAC Name: N-[(E)-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-4-nitrobenzamide bromide Traditional Name: N-[(E)-[3-allyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thiazolin-2-ylidene]amino]-4-nitro-benzamide bromide Formula: C21H18BrN4O5S- MolecularWeight: 518.36042

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=CSC1=NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCCO4.[Br-]

Isomeric SMILES

C=CCN\1C(=CS/C1=N/NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCCO4.[Br-]

InChI

InChI=1S/C21H18N4O5S.BrH/c1-2-9-24-17(15-5-8-18-19(12-15)30-11-10-29-18)13-31-21(24)23-22-20(26)14-3-6-16(7-4-14)25(27)28;/h2-8,12-13H,1,9-11H2,(H,22,26);1H/p-1/b23-21+;