N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenyl-2-phenylsulfanyl-ethanamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenyl-2-phenylsulfanyl-ethanamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenyl-2-phenylsulfanyl-acetamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenyl-2-(phenylthio)acetamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenyl-2-phenylsulfanylacetamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenyl-2-(phenylthio)acetamide Formula: C21H15N3O3S2 MolecularWeight: 421.4921

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])SC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])SC4=CC=CC=C4

InChI

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