N-[3-[[3-azanylpropyl(cyclohexylcarbonyl)amino]methyl]phenyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide

Systemtic Name: N-[3-[[3-azanylpropyl(cyclohexylcarbonyl)amino]methyl]phenyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide Openeye Name: N-[3-[[3-aminopropyl(cyclohexanecarbonyl)amino]methyl]phenyl]-4-methyl-thiadiazole-5-carboxamide CAS Name: N-[3-[[3-aminopropyl-[cyclohexyl(oxo)methyl]amino]methyl]phenyl]-4-methyl-5-thiadiazolecarboxamide IUPAC Name: N-[3-[[3-aminopropyl(cyclohexanecarbonyl)amino]methyl]phenyl]-4-methylthiadiazole-5-carboxamide Traditional Name: N-[3-[[3-aminopropyl(cyclohexanecarbonyl)amino]methyl]phenyl]-4-methyl-thiadiazole-5-carboxamide Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SN=N1)C(=O)NC2=CC=CC(=C2)CN(CCCN)C(=O)C3CCCCC3

Isomeric SMILES

CC1=C(SN=N1)C(=O)NC2=CC=CC(=C2)CN(CCCN)C(=O)C3CCCCC3

InChI

InChI=1S/C21H29N5O2S/c1-15-19(29-25-24-15)20(27)23-18-10-5-7-16(13-18)14-26(12-6-11-22)21(28)17-8-3-2-4-9-17/h5,7,10,13,17H,2-4,6,8-9,11-12,14,22H2,1H3,(H,23,27)