N-(furan-2-ylmethyl)-2-nitro-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: N-(furan-2-ylmethyl)-2-nitro-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide Openeye Name: N-(2-furylmethyl)-N-(4-isopropyl-1,3-benzothiazol-2-yl)-2-nitro-benzamide CAS Name: N-(2-furanylmethyl)-2-nitro-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: N-(furan-2-ylmethyl)-2-nitro-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide Traditional Name: N-(2-furfuryl)-N-(4-isopropyl-1,3-benzothiazol-2-yl)-2-nitro-benzamide Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CO3)C(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CO3)C(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O4S/c1-14(2)16-9-5-11-19-20(16)23-22(30-19)24(13-15-7-6-12-29-15)21(26)17-8-3-4-10-18(17)25(27)28/h3-12,14H,13H2,1-2H3