4-acetamido-N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-3-nitro-benzamide

Systemtic Name: 4-acetamido-N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-3-nitro-benzamide Openeye Name: 4-acetamido-N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-3-nitro-benzamide CAS Name: 4-acetamido-N-[2-[(3-methoxy-3-methylbutyl)thio]-1,3-benzothiazol-6-yl]-3-nitrobenzamide IUPAC Name: 4-acetamido-N-[2-(3-methoxy-3-methylbutyl)sulfanyl-1,3-benzothiazol-6-yl]-3-nitrobenzamide Traditional Name: 4-acetamido-N-[2-[(3-methoxy-3-methyl-butyl)thio]-1,3-benzothiazol-6-yl]-3-nitro-benzamide Formula: C22H24N4O5S2 MolecularWeight: 488.57976

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC(C)(C)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC(C)(C)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O5S2/c1-13(27)23-16-7-5-14(11-18(16)26(29)30)20(28)24-15-6-8-17-19(12-15)33-21(25-17)32-10-9-22(2,3)31-4/h5-8,11-12H,9-10H2,1-4H3,(H,23,27)(H,24,28)