2-[2-(aminocarbonylamino)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-[2-(aminocarbonylamino)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-(2-ureidopropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[[2-(carbamoylamino)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-[2-(carbamoylamino)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-(2-ureidopropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)O)NC(=O)N

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)O)NC(=O)N

InChI

InChI=1S/C13H17N3O4S/c1-6(15-13(14)20)10(17)16-11-9(12(18)19)7-4-2-3-5-8(7)21-11/h6H,2-5H2,1H3,(H,16,17)(H,18,19)(H3,14,15,20)