3-nitro-4-(3-phenylsulfanylpropylamino)benzamide

Systemtic Name: 3-nitro-4-(3-phenylsulfanylpropylamino)benzamide Openeye Name: 3-nitro-4-(3-phenylsulfanylpropylamino)benzamide CAS Name: 3-nitro-4-[3-(phenylthio)propylamino]benzamide IUPAC Name: 3-nitro-4-(3-phenylsulfanylpropylamino)benzamide Traditional Name: 3-nitro-4-[3-(phenylthio)propylamino]benzamide Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O3S/c17-16(20)12-7-8-14(15(11-12)19(21)22)18-9-4-10-23-13-5-2-1-3-6-13/h1-3,5-8,11,18H,4,9-10H2,(H2,17,20)