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

Systemtic Name: 3-(butanoylamino)-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]benzamide Openeye Name: 3-(butanoylamino)-N-[2-[[5-(dimethylaminomethyl)-2-furyl]methylsulfanyl]ethyl]benzamide CAS Name: N-[2-[[5-(dimethylaminomethyl)-2-furanyl]methylthio]ethyl]-3-(1-oxobutylamino)benzamide IUPAC Name: 3-(butanoylamino)-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]benzamide Traditional Name: 3-butyramido-N-[2-[[5-(dimethylaminomethyl)-2-furyl]methylthio]ethyl]benzamide Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3S/c1-4-6-20(25)23-17-8-5-7-16(13-17)21(26)22-11-12-28-15-19-10-9-18(27-19)14-24(2)3/h5,7-10,13H,4,6,11-12,14-15H2,1-3H3,(H,22,26)(H,23,25)