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

Systemtic Name: N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-3-(propanoylamino)benzamide Openeye Name: N-[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethyl]-3-(propanoylamino)benzamide CAS Name: N-[2-[[5-(dimethylaminomethyl)-2-furanyl]methylthio]ethyl]-3-(1-oxopropylamino)benzamide IUPAC Name: N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-3-(propanoylamino)benzamide Traditional Name: N-[2-[[5-(dimethylaminomethyl)-2-furyl]methylthio]ethyl]-3-propionamido-benzamide Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=CC(=C1)C(=O)NCCSCC2=CC=C(O2)CN(C)C

Isomeric SMILES

CCC(=O)NC1=CC=CC(=C1)C(=O)NCCSCC2=CC=C(O2)CN(C)C

InChI

InChI=1S/C20H27N3O3S/c1-4-19(24)22-16-7-5-6-15(12-16)20(25)21-10-11-27-14-18-9-8-17(26-18)13-23(2)3/h5-9,12H,4,10-11,13-14H2,1-3H3,(H,21,25)(H,22,24)