N-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]carbothioyl]furan-2-carboxamide

Systemtic Name: N-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]carbothioyl]furan-2-carboxamide Openeye Name: N-[4-(3-thienylmethyl)-1,4-diazepane-1-carbothioyl]furan-2-carboxamide CAS Name: N-[sulfanylidene-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methyl]-2-furancarboxamide IUPAC Name: N-[4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbothioyl]furan-2-carboxamide Traditional Name: N-[4-(3-thenyl)-1,4-diazepane-1-carbothioyl]-2-furamide Formula: C16H19N3O2S2 MolecularWeight: 349.47096

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC(=O)C2=CC=CO2)CC3=CSC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC(=O)C2=CC=CO2)CC3=CSC=C3

InChI

InChI=1S/C16H19N3O2S2/c20-15(14-3-1-9-21-14)17-16(22)19-6-2-5-18(7-8-19)11-13-4-10-23-12-13/h1,3-4,9-10,12H,2,5-8,11H2,(H,17,20,22)