N-(6-nitro-1,3-benzothiazol-2-yl)-2-propylsulfanyl-benzamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-propylsulfanyl-benzamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-propylsulfanyl-benzamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-(propylthio)benzamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-propylsulfanylbenzamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-(propylthio)benzamide Formula: C17H15N3O3S2 MolecularWeight: 373.4493

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=CC=C1C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCSC1=CC=CC=C1C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O3S2/c1-2-9-24-14-6-4-3-5-12(14)16(21)19-17-18-13-8-7-11(20(22)23)10-15(13)25-17/h3-8,10H,2,9H2,1H3,(H,18,19,21)