2-(4-chloranyl-2-methyl-phenoxy)-N-[2-(2,4-dinitrophenyl)sulfanyl-1,3-benzothiazol-6-yl]propanamide

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)-N-[2-(2,4-dinitrophenyl)sulfanyl-1,3-benzothiazol-6-yl]propanamide Openeye Name: 2-(4-chloro-2-methyl-phenoxy)-N-[2-(2,4-dinitrophenyl)sulfanyl-1,3-benzothiazol-6-yl]propanamide CAS Name: 2-(4-chloro-2-methylphenoxy)-N-[2-[(2,4-dinitrophenyl)thio]-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 2-(4-chloro-2-methylphenoxy)-N-[2-(2,4-dinitrophenyl)sulfanyl-1,3-benzothiazol-6-yl]propanamide Traditional Name: 2-(4-chloro-2-methyl-phenoxy)-N-[2-[(2,4-dinitrophenyl)thio]-1,3-benzothiazol-6-yl]propionamide Formula: C23H17ClN4O6S2 MolecularWeight: 544.98728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NC2=CC3=C(C=C2)N=C(S3)SC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NC2=CC3=C(C=C2)N=C(S3)SC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H17ClN4O6S2/c1-12-9-14(24)3-7-19(12)34-13(2)22(29)25-15-4-6-17-21(10-15)36-23(26-17)35-20-8-5-16(27(30)31)11-18(20)28(32)33/h3-11,13H,1-2H3,(H,25,29)