N-[5-(2,2-dimethylpropyl)-3-isocyano-4-methyl-thiophen-2-yl]benzamide

Systemtic Name: N-[5-(2,2-dimethylpropyl)-3-isocyano-4-methyl-thiophen-2-yl]benzamide Openeye Name: N-[5-(2,2-dimethylpropyl)-3-isocyano-4-methyl-2-thienyl]benzamide CAS Name: N-[5-(2,2-dimethylpropyl)-3-isocyano-4-methyl-2-thiophenyl]benzamide IUPAC Name: N-[5-(2,2-dimethylpropyl)-3-isocyano-4-methylthiophen-2-yl]benzamide Traditional Name: N-(3-isocyano-4-methyl-5-neopentyl-2-thienyl)benzamide Formula: C18H20N2OS MolecularWeight: 312.4292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1[N+]#[C-])NC(=O)C2=CC=CC=C2)CC(C)(C)C

Isomeric SMILES

CC1=C(SC(=C1[N+]#[C-])NC(=O)C2=CC=CC=C2)CC(C)(C)C

InChI

InChI=1S/C18H20N2OS/c1-12-14(11-18(2,3)4)22-17(15(12)19-5)20-16(21)13-9-7-6-8-10-13/h6-10H,11H2,1-4H3,(H,20,21)