3-nitro-N-(2-prop-2-enylsulfanylphenyl)-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-nitro-N-(2-prop-2-enylsulfanylphenyl)-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(2-allylsulfanylphenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-[2-(prop-2-enylthio)phenyl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-nitro-N-(2-prop-2-enylsulfanylphenyl)-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-(allylthio)phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O3S/c1-2-13-27-19-8-4-3-7-16(19)21-20(24)15-9-10-17(18(14-15)23(25)26)22-11-5-6-12-22/h2-4,7-10,14H,1,5-6,11-13H2,(H,21,24)