1-[3-(cyanomethyl)-2,4,6-trimethyl-phenyl]-3-thiophen-3-ylsulfonyl-urea

Systemtic Name: 1-[3-(cyanomethyl)-2,4,6-trimethyl-phenyl]-3-thiophen-3-ylsulfonyl-urea Openeye Name: 1-[3-(cyanomethyl)-2,4,6-trimethyl-phenyl]-3-(3-thienylsulfonyl)urea CAS Name: 1-[3-(cyanomethyl)-2,4,6-trimethylphenyl]-3-(3-thiophenylsulfonyl)urea IUPAC Name: 1-[3-(cyanomethyl)-2,4,6-trimethylphenyl]-3-thiophen-3-ylsulfonylurea Traditional Name: 1-[3-(cyanomethyl)-2,4,6-trimethyl-phenyl]-3-(3-thienylsulfonyl)urea Formula: C16H17N3O3S2 MolecularWeight: 363.45448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1CC#N)C)NC(=O)NS(=O)(=O)C2=CSC=C2)C

Isomeric SMILES

CC1=CC(=C(C(=C1CC#N)C)NC(=O)NS(=O)(=O)C2=CSC=C2)C

InChI

InChI=1S/C16H17N3O3S2/c1-10-8-11(2)15(12(3)14(10)4-6-17)18-16(20)19-24(21,22)13-5-7-23-9-13/h5,7-9H,4H2,1-3H3,(H2,18,19,20)