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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-nitro-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-nitro-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-nitrobenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-nitrobenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-nitro-benzamide Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O3S/c21-17(12-7-9-13(10-8-12)20(22)23)18-11-3-6-16-19-14-4-1-2-5-15(14)24-16/h1-2,4-5,7-10H,3,6,11H2,(H,18,21)