N-[2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: N-[2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Openeye Name: N-[2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide CAS Name: N-[2-[(4-nitrophenyl)methylthio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: N-[2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Traditional Name: N-[2-[(4-nitrobenzyl)thio]-1,3-benzothiazol-6-yl]benzamide Formula: C21H15N3O3S2 MolecularWeight: 421.4921

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O3S2/c25-20(15-4-2-1-3-5-15)22-16-8-11-18-19(12-16)29-21(23-18)28-13-14-6-9-17(10-7-14)24(26)27/h1-12H,13H2,(H,22,25)