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

Systemtic Name: 4-nitro-N-[2-(phenylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Openeye Name: N-(2-benzylsulfanyl-1,3-benzothiazol-6-yl)-4-nitro-benzamide CAS Name: 4-nitro-N-[2-(phenylmethylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: N-(2-benzylsulfanyl-1,3-benzothiazol-6-yl)-4-nitrobenzamide Traditional Name: N-[2-(benzylthio)-1,3-benzothiazol-6-yl]-4-nitro-benzamide Formula: C21H15N3O3S2 MolecularWeight: 421.4921

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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