N-[[4-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,4-diazepan-1-yl]carbothioyl]furan-2-carboxamide

Systemtic Name: N-[[4-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,4-diazepan-1-yl]carbothioyl]furan-2-carboxamide Openeye Name: N-[4-(2-anilino-2-oxo-ethyl)-1,4-diazepane-1-carbothioyl]furan-2-carboxamide CAS Name: N-[[4-(2-anilino-2-oxoethyl)-1,4-diazepan-1-yl]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[4-(2-anilino-2-oxoethyl)-1,4-diazepane-1-carbothioyl]furan-2-carboxamide Traditional Name: N-[4-(2-anilino-2-keto-ethyl)-1,4-diazepane-1-carbothioyl]-2-furamide Formula: C19H22N4O3S MolecularWeight: 386.46798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC(=O)C2=CC=CO2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC(=O)C2=CC=CO2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C19H22N4O3S/c24-17(20-15-6-2-1-3-7-15)14-22-9-5-10-23(12-11-22)19(27)21-18(25)16-8-4-13-26-16/h1-4,6-8,13H,5,9-12,14H2,(H,20,24)(H,21,25,27)