N-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-2-chloranyl-5-nitro-benzamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-2-chloranyl-5-nitro-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-2-chloro-5-nitro-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-ylthio)propyl]-2-chloro-5-nitrobenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-2-chloro-5-nitrobenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-ylthio)propyl]-2-chloro-5-nitro-benzamide Formula: C17H14ClN3O3S2 MolecularWeight: 407.89436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCCNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCCNC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H14ClN3O3S2/c18-13-7-6-11(21(23)24)10-12(13)16(22)19-8-3-9-25-17-20-14-4-1-2-5-15(14)26-17/h1-2,4-7,10H,3,8-9H2,(H,19,22)