2-(aminocarbonylamino)-N-(3-ethynylphenyl)-4-methylsulfanyl-butanamide

Systemtic Name: 2-(aminocarbonylamino)-N-(3-ethynylphenyl)-4-methylsulfanyl-butanamide Openeye Name: N-(3-ethynylphenyl)-4-methylsulfanyl-2-ureido-butanamide CAS Name: 2-(carbamoylamino)-N-(3-ethynylphenyl)-4-(methylthio)butanamide IUPAC Name: 2-(carbamoylamino)-N-(3-ethynylphenyl)-4-methylsulfanylbutanamide Traditional Name: N-(3-ethynylphenyl)-4-(methylthio)-2-ureido-butyramide Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=CC(=C1)C#C)NC(=O)N

Isomeric SMILES

CSCCC(C(=O)NC1=CC=CC(=C1)C#C)NC(=O)N

InChI

InChI=1S/C14H17N3O2S/c1-3-10-5-4-6-11(9-10)16-13(18)12(7-8-20-2)17-14(15)19/h1,4-6,9,12H,7-8H2,2H3,(H,16,18)(H3,15,17,19)