2-(aminocarbonylamino)-N-[(4-methylsulfonylphenyl)methyl]propanamide

Systemtic Name: 2-(aminocarbonylamino)-N-[(4-methylsulfonylphenyl)methyl]propanamide Openeye Name: N-[(4-methylsulfonylphenyl)methyl]-2-ureido-propanamide CAS Name: 2-(carbamoylamino)-N-[(4-methylsulfonylphenyl)methyl]propanamide IUPAC Name: 2-(carbamoylamino)-N-[(4-methylsulfonylphenyl)methyl]propanamide Traditional Name: N-(4-mesylbenzyl)-2-ureido-propionamide Formula: C12H17N3O4S MolecularWeight: 299.34608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)S(=O)(=O)C)NC(=O)N

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)S(=O)(=O)C)NC(=O)N

InChI

InChI=1S/C12H17N3O4S/c1-8(15-12(13)17)11(16)14-7-9-3-5-10(6-4-9)20(2,18)19/h3-6,8H,7H2,1-2H3,(H,14,16)(H3,13,15,17)