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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3-nitro-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3-nitro-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3-nitrobenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3-nitrobenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3-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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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