N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-3-nitro-benzamide Openeye Name: N-[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethyl]-3-nitro-benzamide CAS Name: N-[2-[[5-(dimethylaminomethyl)-2-furanyl]methylthio]ethyl]-3-nitrobenzamide IUPAC Name: N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-3-nitrobenzamide Traditional Name: N-[2-[[5-(dimethylaminomethyl)-2-furyl]methylthio]ethyl]-3-nitro-benzamide Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(O1)CSCCNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN(C)CC1=CC=C(O1)CSCCNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O4S/c1-19(2)11-15-6-7-16(24-15)12-25-9-8-18-17(21)13-4-3-5-14(10-13)20(22)23/h3-7,10H,8-9,11-12H2,1-2H3,(H,18,21)