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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-methyl-3-nitro-benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-methyl-3-nitro-benzamide Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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