N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-nitro-4-phenylsulfanyl-benzamide

Systemtic Name: N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-nitro-4-phenylsulfanyl-benzamide Openeye Name: N-[2-(dimethylamino)-2-(2-furyl)ethyl]-3-nitro-4-phenylsulfanyl-benzamide CAS Name: N-[2-(dimethylamino)-2-(2-furanyl)ethyl]-3-nitro-4-(phenylthio)benzamide IUPAC Name: N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-nitro-4-phenylsulfanylbenzamide Traditional Name: N-[2-(dimethylamino)-2-(2-furyl)ethyl]-3-nitro-4-(phenylthio)benzamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2)[N+](=O)[O-])C3=CC=CO3

Isomeric SMILES

CN(C)C(CNC(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2)[N+](=O)[O-])C3=CC=CO3

InChI

InChI=1S/C21H21N3O4S/c1-23(2)18(19-9-6-12-28-19)14-22-21(25)15-10-11-20(17(13-15)24(26)27)29-16-7-4-3-5-8-16/h3-13,18H,14H2,1-2H3,(H,22,25)