4-[(2,2,4,4-tetramethyl-3H-thiochromen-8-yl)carbamoylamino]benzoic acid

Systemtic Name: 4-[(2,2,4,4-tetramethyl-3H-thiochromen-8-yl)carbamoylamino]benzoic acid Openeye Name: 4-[(2,2,4,4-tetramethylthiochroman-8-yl)carbamoylamino]benzoic acid CAS Name: 4-[[oxo-[(2,2,4,4-tetramethyl-3H-1-benzothiopyran-8-yl)amino]methyl]amino]benzoic acid IUPAC Name: 4-[(2,2,4,4-tetramethyl-3H-thiochromen-8-yl)carbamoylamino]benzoic acid Traditional Name: 4-[(2,2,4,4-tetramethylthiochroman-8-yl)carbamoylamino]benzoic acid Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(SC2=C1C=CC=C2NC(=O)NC3=CC=C(C=C3)C(=O)O)(C)C)C

Isomeric SMILES

CC1(CC(SC2=C1C=CC=C2NC(=O)NC3=CC=C(C=C3)C(=O)O)(C)C)C

InChI

InChI=1S/C21H24N2O3S/c1-20(2)12-21(3,4)27-17-15(20)6-5-7-16(17)23-19(26)22-14-10-8-13(9-11-14)18(24)25/h5-11H,12H2,1-4H3,(H,24,25)(H2,22,23,26)