N-[4-[5-(1,4-diazepan-1-ylcarbonyl)furan-2-yl]phenyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide

Systemtic Name: N-[4-[5-(1,4-diazepan-1-ylcarbonyl)furan-2-yl]phenyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide Openeye Name: N-[4-[5-(1,4-diazepane-1-carbonyl)-2-furyl]phenyl]-4-methyl-thiadiazole-5-carboxamide CAS Name: N-[4-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-furanyl]phenyl]-4-methyl-5-thiadiazolecarboxamide IUPAC Name: N-[4-[5-(1,4-diazepane-1-carbonyl)furan-2-yl]phenyl]-4-methylthiadiazole-5-carboxamide Traditional Name: N-[4-[5-(1,4-diazepane-1-carbonyl)-2-furyl]phenyl]-4-methyl-thiadiazole-5-carboxamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SN=N1)C(=O)NC2=CC=C(C=C2)C3=CC=C(O3)C(=O)N4CCCNCC4

Isomeric SMILES

CC1=C(SN=N1)C(=O)NC2=CC=C(C=C2)C3=CC=C(O3)C(=O)N4CCCNCC4

InChI

InChI=1S/C20H21N5O3S/c1-13-18(29-24-23-13)19(26)22-15-5-3-14(4-6-15)16-7-8-17(28-16)20(27)25-11-2-9-21-10-12-25/h3-8,21H,2,9-12H2,1H3,(H,22,26)