N-[3-(azepan-1-yl)-1-(4-methylsulfanylphenyl)-3-oxidanylidene-prop-1-en-2-yl]furan-2-carboxamide

Systemtic Name: N-[3-(azepan-1-yl)-1-(4-methylsulfanylphenyl)-3-oxidanylidene-prop-1-en-2-yl]furan-2-carboxamide Openeye Name: N-[1-(azepane-1-carbonyl)-2-(4-methylsulfanylphenyl)vinyl]furan-2-carboxamide CAS Name: N-[3-(1-azepanyl)-1-[4-(methylthio)phenyl]-3-oxoprop-1-en-2-yl]-2-furancarboxamide IUPAC Name: N-[3-(azepan-1-yl)-1-(4-methylsulfanylphenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide Traditional Name: N-[1-(azepane-1-carbonyl)-2-[4-(methylthio)phenyl]vinyl]-2-furamide Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=C(C(=O)N2CCCCCC2)NC(=O)C3=CC=CO3

Isomeric SMILES

CSC1=CC=C(C=C1)C=C(C(=O)N2CCCCCC2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H24N2O3S/c1-27-17-10-8-16(9-11-17)15-18(22-20(24)19-7-6-14-26-19)21(25)23-12-4-2-3-5-13-23/h6-11,14-15H,2-5,12-13H2,1H3,(H,22,24)