1-[5-(2,2-dimethylpropyl)-3-isocyano-4-methyl-thiophen-2-yl]-3-phenyl-urea

Systemtic Name: 1-[5-(2,2-dimethylpropyl)-3-isocyano-4-methyl-thiophen-2-yl]-3-phenyl-urea Openeye Name: 1-[5-(2,2-dimethylpropyl)-3-isocyano-4-methyl-2-thienyl]-3-phenyl-urea CAS Name: 1-[5-(2,2-dimethylpropyl)-3-isocyano-4-methyl-2-thiophenyl]-3-phenylurea IUPAC Name: 1-[5-(2,2-dimethylpropyl)-3-isocyano-4-methylthiophen-2-yl]-3-phenylurea Traditional Name: 1-(3-isocyano-4-methyl-5-neopentyl-2-thienyl)-3-phenyl-urea Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1[N+]#[C-])NC(=O)NC2=CC=CC=C2)CC(C)(C)C

Isomeric SMILES

CC1=C(SC(=C1[N+]#[C-])NC(=O)NC2=CC=CC=C2)CC(C)(C)C

InChI

InChI=1S/C18H21N3OS/c1-12-14(11-18(2,3)4)23-16(15(12)19-5)21-17(22)20-13-9-7-6-8-10-13/h6-10H,11H2,1-4H3,(H2,20,21,22)