3-[[4-(dimethylamino)-1,2-benzoxazol-3-yl]carbamothioylamino]benzoic acid

Systemtic Name: 3-[[4-(dimethylamino)-1,2-benzoxazol-3-yl]carbamothioylamino]benzoic acid Openeye Name: 3-[[4-(dimethylamino)-1,2-benzoxazol-3-yl]carbamothioylamino]benzoic acid CAS Name: 3-[[[[4-(dimethylamino)-1,2-benzoxazol-3-yl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3-[[4-(dimethylamino)-1,2-benzoxazol-3-yl]carbamothioylamino]benzoic acid Traditional Name: 3-[[4-(dimethylamino)indoxazen-3-yl]thiocarbamoylamino]benzoic acid Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C2C(=CC=C1)ON=C2NC(=S)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CN(C)C1=C2C(=CC=C1)ON=C2NC(=S)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C17H16N4O3S/c1-21(2)12-7-4-8-13-14(12)15(20-24-13)19-17(25)18-11-6-3-5-10(9-11)16(22)23/h3-9H,1-2H3,(H,22,23)(H2,18,19,20,25)