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

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methyl]-3-methyl-4-nitro-benzamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]methyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methyl]-3-methyl-4-nitro-benzamide Formula: C20H15N3O4S MolecularWeight: 393.4158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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