N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanamide

Systemtic Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanamide Openeye Name: 2-(4-isopropylsulfanylphenyl)-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-[4-(propan-2-ylthio)phenyl]acetamide IUPAC Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfanylphenyl)acetamide Traditional Name: 2-[4-(isopropylthio)phenyl]-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)CC(=O)NC2=NC3=C(C=C(C=C3S2)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)CC(=O)NC2=NC3=C(C=C(C=C3S2)[N+](=O)[O-])OC

InChI

InChI=1S/C19H19N3O4S2/c1-11(2)27-14-6-4-12(5-7-14)8-17(23)20-19-21-18-15(26-3)9-13(22(24)25)10-16(18)28-19/h4-7,9-11H,8H2,1-3H3,(H,20,21,23)