3-(1-benzothiophen-3-yl)-2-(propan-2-ylcarbamothioylamino)propanoic acid

Systemtic Name: 3-(1-benzothiophen-3-yl)-2-(propan-2-ylcarbamothioylamino)propanoic acid Openeye Name: 3-(benzothiophen-3-yl)-2-(isopropylcarbamothioylamino)propanoic acid CAS Name: 3-(1-benzothiophen-3-yl)-2-[[(propan-2-ylamino)-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 3-(1-benzothiophen-3-yl)-2-(propan-2-ylcarbamothioylamino)propanoic acid Traditional Name: 3-(benzothiophen-3-yl)-2-(isopropylthiocarbamoylamino)propionic acid Formula: C15H18N2O2S2 MolecularWeight: 322.44562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NC(CC1=CSC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CC(C)NC(=S)NC(CC1=CSC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C15H18N2O2S2/c1-9(2)16-15(20)17-12(14(18)19)7-10-8-21-13-6-4-3-5-11(10)13/h3-6,8-9,12H,7H2,1-2H3,(H,18,19)(H2,16,17,20)