N-(azepan-1-ylcarbothioyl)-4-(2-methylpropoxy)benzamide

Systemtic Name: N-(azepan-1-ylcarbothioyl)-4-(2-methylpropoxy)benzamide Openeye Name: N-(azepane-1-carbothioyl)-4-isobutoxy-benzamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-4-(2-methylpropoxy)benzamide IUPAC Name: N-(azepane-1-carbothioyl)-4-(2-methylpropoxy)benzamide Traditional Name: N-(azepane-1-carbothioyl)-4-isobutoxy-benzamide Formula: C18H26N2O2S MolecularWeight: 334.47624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)N2CCCCCC2

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)N2CCCCCC2

InChI

InChI=1S/C18H26N2O2S/c1-14(2)13-22-16-9-7-15(8-10-16)17(21)19-18(23)20-11-5-3-4-6-12-20/h7-10,14H,3-6,11-13H2,1-2H3,(H,19,21,23)