4-acetamido-3-nitro-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 4-acetamido-3-nitro-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-acetamido-N-[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-3-nitro-benzamide CAS Name: 4-acetamido-3-nitro-N-[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-acetamido-3-nitro-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-acetamido-N-[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]-3-nitro-benzamide Formula: C21H22N4O4S3 MolecularWeight: 490.61878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=C(C=C3)NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4S3/c1-12(2)30-8-9-31-21-24-17-7-5-15(11-19(17)32-21)23-20(27)14-4-6-16(22-13(3)26)18(10-14)25(28)29/h4-7,10-12H,8-9H2,1-3H3,(H,22,26)(H,23,27)