1-(5-iodanyl-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-prop-2-ynyl-urea

Systemtic Name: 1-(5-iodanyl-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-prop-2-ynyl-urea Openeye Name: 1-(5-iodo-4,5,6,7-tetrahydrobenzothiophen-4-yl)-3-prop-2-ynyl-urea CAS Name: 1-(5-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-prop-2-ynylurea IUPAC Name: 1-(5-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3-prop-2-ynylurea Traditional Name: 1-(5-iodo-4,5,6,7-tetrahydrobenzothiophen-4-yl)-3-propargyl-urea Formula: C12H13IN2OS MolecularWeight: 360.21389

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)NC1C(CCC2=C1C=CS2)I

Isomeric SMILES

C#CCNC(=O)NC1C(CCC2=C1C=CS2)I

InChI

InChI=1S/C12H13IN2OS/c1-2-6-14-12(16)15-11-8-5-7-17-10(8)4-3-9(11)13/h1,5,7,9,11H,3-4,6H2,(H2,14,15,16)