5-nitro-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide

Systemtic Name: 5-nitro-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide Openeye Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-5-nitro-N-(3-pyridylmethyl)thiophene-2-carboxamide CAS Name: 5-nitro-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(3-pyridinylmethyl)-2-thiophenecarboxamide IUPAC Name: 5-nitro-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide Traditional Name: N-(4-isopropyl-1,3-benzothiazol-2-yl)-5-nitro-N-(3-pyridylmethyl)thiophene-2-carboxamide Formula: C21H18N4O3S2 MolecularWeight: 438.52262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CN=CC=C3)C(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O3S2/c1-13(2)15-6-3-7-16-19(15)23-21(30-16)24(12-14-5-4-10-22-11-14)20(26)17-8-9-18(29-17)25(27)28/h3-11,13H,12H2,1-2H3