N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(methylamino)-3-nitro-benzamide

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(methylamino)-3-nitro-benzamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methyl]-4-(methylamino)-3-nitro-benzamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]methyl]-4-(methylamino)-3-nitrobenzamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(methylamino)-3-nitrobenzamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methyl]-4-(methylamino)-3-nitro-benzamide Formula: C20H16N4O4S MolecularWeight: 408.43044

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NCC2=CC=C(O2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)NCC2=CC=C(O2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O4S/c1-21-14-8-6-12(10-16(14)24(26)27)19(25)22-11-13-7-9-17(28-13)20-23-15-4-2-3-5-18(15)29-20/h2-10,21H,11H2,1H3,(H,22,25)