2-(aminocarbonylamino)-3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pentanamide

Systemtic Name: 2-(aminocarbonylamino)-3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pentanamide Openeye Name: 3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-ureido-pentanamide CAS Name: 2-(carbamoylamino)-3-methyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]pentanamide IUPAC Name: 2-(carbamoylamino)-3-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pentanamide Traditional Name: 3-methyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-2-ureido-valeramide Formula: C15H20N4O2S2 MolecularWeight: 352.4749

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC2=C(C=C1)N=C(S2)SC)NC(=O)N

Isomeric SMILES

CCC(C)C(C(=O)NC1=CC2=C(C=C1)N=C(S2)SC)NC(=O)N

InChI

InChI=1S/C15H20N4O2S2/c1-4-8(2)12(19-14(16)21)13(20)17-9-5-6-10-11(7-9)23-15(18-10)22-3/h5-8,12H,4H2,1-3H3,(H,17,20)(H3,16,19,21)