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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3-methyl-2-nitro-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3-methyl-2-nitro-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3-methyl-2-nitrobenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3-methyl-2-nitrobenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-3-methyl-2-nitro-benzamide Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NCCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NCCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H17N3O3S/c1-12-6-4-7-13(17(12)21(23)24)18(22)19-11-5-10-16-20-14-8-2-3-9-15(14)25-16/h2-4,6-9H,5,10-11H2,1H3,(H,19,22)