N-[2-(5-methyl-2-propan-2-yl-phenoxy)ethyl]-6-nitro-1,3-benzothiazol-2-amine

Systemtic Name: N-[2-(5-methyl-2-propan-2-yl-phenoxy)ethyl]-6-nitro-1,3-benzothiazol-2-amine Openeye Name: N-[2-(2-isopropyl-5-methyl-phenoxy)ethyl]-6-nitro-1,3-benzothiazol-2-amine CAS Name: N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-6-nitro-1,3-benzothiazol-2-amine IUPAC Name: N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-6-nitro-1,3-benzothiazol-2-amine Traditional Name: 2-(2-isopropyl-5-methyl-phenoxy)ethyl-(6-nitro-1,3-benzothiazol-2-yl)amine Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCCNC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCCNC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O3S/c1-12(2)15-6-4-13(3)10-17(15)25-9-8-20-19-21-16-7-5-14(22(23)24)11-18(16)26-19/h4-7,10-12H,8-9H2,1-3H3,(H,20,21)