N-[3-(1,3-benzothiazol-2-yl)propyl]-2-chloranyl-4-nitro-benzamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-2-chloranyl-4-nitro-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-2-chloro-4-nitro-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-2-chloro-4-nitrobenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-2-chloro-4-nitrobenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-2-chloro-4-nitro-benzamide Formula: C17H14ClN3O3S MolecularWeight: 375.82936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN3O3S/c18-13-10-11(21(23)24)7-8-12(13)17(22)19-9-3-6-16-20-14-4-1-2-5-15(14)25-16/h1-2,4-5,7-8,10H,3,6,9H2,(H,19,22)