3-[[4-(2,2-dicyanoethenyl)phenyl]carbamoyl]-1-methylsulfonyl-1-pentyl-urea

Systemtic Name: 3-[[4-(2,2-dicyanoethenyl)phenyl]carbamoyl]-1-methylsulfonyl-1-pentyl-urea Openeye Name: 3-[[4-(2,2-dicyanovinyl)phenyl]carbamoyl]-1-methylsulfonyl-1-pentyl-urea CAS Name: 3-[[4-(2,2-dicyanoethenyl)anilino]-oxomethyl]-1-methylsulfonyl-1-pentylurea IUPAC Name: 3-[[4-(2,2-dicyanoethenyl)phenyl]carbamoyl]-1-methylsulfonyl-1-pentylurea Traditional Name: 1-amyl-3-[[4-(2,2-dicyanovinyl)phenyl]carbamoyl]-1-mesyl-urea Formula: C18H21N5O4S MolecularWeight: 403.45544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C(=O)NC(=O)NC1=CC=C(C=C1)C=C(C#N)C#N)S(=O)(=O)C

Isomeric SMILES

CCCCCN(C(=O)NC(=O)NC1=CC=C(C=C1)C=C(C#N)C#N)S(=O)(=O)C

InChI

InChI=1S/C18H21N5O4S/c1-3-4-5-10-23(28(2,26)27)18(25)22-17(24)21-16-8-6-14(7-9-16)11-15(12-19)13-20/h6-9,11H,3-5,10H2,1-2H3,(H2,21,22,24,25)