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

Systemtic Name: N-[4-[1-(1,4-diazepan-1-yl)-1-oxidanylidene-propan-2-yl]phenyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide Openeye Name: N-[4-[2-(1,4-diazepan-1-yl)-1-methyl-2-oxo-ethyl]phenyl]-4-methyl-thiadiazole-5-carboxamide CAS Name: N-[4-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]phenyl]-4-methyl-5-thiadiazolecarboxamide IUPAC Name: N-[4-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]phenyl]-4-methylthiadiazole-5-carboxamide Traditional Name: N-[4-[2-(1,4-diazepan-1-yl)-2-keto-1-methyl-ethyl]phenyl]-4-methyl-thiadiazole-5-carboxamide Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SN=N1)C(=O)NC2=CC=C(C=C2)C(C)C(=O)N3CCCNCC3

Isomeric SMILES

CC1=C(SN=N1)C(=O)NC2=CC=C(C=C2)C(C)C(=O)N3CCCNCC3

InChI

InChI=1S/C18H23N5O2S/c1-12(18(25)23-10-3-8-19-9-11-23)14-4-6-15(7-5-14)20-17(24)16-13(2)21-22-26-16/h4-7,12,19H,3,8-11H2,1-2H3,(H,20,24)