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

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]methyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methyl]-2-methyl-3-nitro-benzamide Formula: C20H15N3O4S MolecularWeight: 393.4158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2=CC=C(O2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCC2=CC=C(O2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H15N3O4S/c1-12-14(5-4-7-16(12)23(25)26)19(24)21-11-13-9-10-17(27-13)20-22-15-6-2-3-8-18(15)28-20/h2-10H,11H2,1H3,(H,21,24)