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

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-nitro-benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-nitro-benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-nitrobenzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-nitrobenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-nitro-benzamide Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O3S/c20-16(11-4-3-5-12(10-11)19(21)22)17-9-8-15-18-13-6-1-2-7-14(13)23-15/h1-7,10H,8-9H2,(H,17,20)