5-(1,3-benzothiazol-2-yl)-N-(3-nitrophenyl)pentanamide

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-N-(3-nitrophenyl)pentanamide Openeye Name: 5-(1,3-benzothiazol-2-yl)-N-(3-nitrophenyl)pentanamide CAS Name: 5-(1,3-benzothiazol-2-yl)-N-(3-nitrophenyl)pentanamide IUPAC Name: 5-(1,3-benzothiazol-2-yl)-N-(3-nitrophenyl)pentanamide Traditional Name: 5-(1,3-benzothiazol-2-yl)-N-(3-nitrophenyl)valeramide Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCCCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCCCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O3S/c22-17(19-13-6-5-7-14(12-13)21(23)24)10-3-4-11-18-20-15-8-1-2-9-16(15)25-18/h1-2,5-9,12H,3-4,10-11H2,(H,19,22)