(2S)-2-(aminocarbonylamino)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-methylsulfanyl-butanamide

Systemtic Name: (2S)-2-(aminocarbonylamino)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-methylsulfanyl-butanamide Openeye Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-methylsulfanyl-2-ureido-butanamide CAS Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-2-(carbamoylamino)-N-methyl-4-(methylthio)butanamide IUPAC Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-2-(carbamoylamino)-N-methyl-4-methylsulfanylbutanamide Traditional Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-(methylthio)-2-ureido-butyramide Formula: C15H20N4O2S2 MolecularWeight: 352.4749

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)C(CCSC)NC(=O)N

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)[C@H](CCSC)NC(=O)N

InChI

InChI=1S/C15H20N4O2S2/c1-19(14(20)11(7-8-22-2)18-15(16)21)9-13-17-10-5-3-4-6-12(10)23-13/h3-6,11H,7-9H2,1-2H3,(H3,16,18,21)/t11-/m0/s1