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

Systemtic Name: N-[4-(1,4-diazepan-1-ylcarbonyl)-2-methyl-phenyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide Openeye Name: N-[4-(1,4-diazepane-1-carbonyl)-2-methyl-phenyl]-4-methyl-thiadiazole-5-carboxamide CAS Name: N-[4-[1,4-diazepan-1-yl(oxo)methyl]-2-methylphenyl]-4-methyl-5-thiadiazolecarboxamide IUPAC Name: N-[4-(1,4-diazepane-1-carbonyl)-2-methylphenyl]-4-methylthiadiazole-5-carboxamide Traditional Name: N-[4-(1,4-diazepane-1-carbonyl)-2-methyl-phenyl]-4-methyl-thiadiazole-5-carboxamide Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCCNCC2)NC(=O)C3=C(N=NS3)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCCNCC2)NC(=O)C3=C(N=NS3)C

InChI

InChI=1S/C17H21N5O2S/c1-11-10-13(17(24)22-8-3-6-18-7-9-22)4-5-14(11)19-16(23)15-12(2)20-21-25-15/h4-5,10,18H,3,6-9H2,1-2H3,(H,19,23)