3-(1-phenylazanyl-3-sulfanylidene-2,4-diazaspiro[4.5]dec-1-en-4-yl)benzoic acid

Systemtic Name: 3-(1-phenylazanyl-3-sulfanylidene-2,4-diazaspiro[4.5]dec-1-en-4-yl)benzoic acid Openeye Name: 3-(1-anilino-3-thioxo-2,4-diazaspiro[4.5]dec-1-en-4-yl)benzoic acid CAS Name: 3-(1-anilino-3-sulfanylidene-2,4-diazaspiro[4.5]dec-1-en-4-yl)benzoic acid IUPAC Name: 3-(1-anilino-3-sulfanylidene-2,4-diazaspiro[4.5]dec-1-en-4-yl)benzoic acid Traditional Name: 3-(1-anilino-3-thioxo-2,4-diazaspiro[4.5]dec-1-en-4-yl)benzoic acid Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C(=NC(=S)N2C3=CC=CC(=C3)C(=O)O)NC4=CC=CC=C4

Isomeric SMILES

C1CCC2(CC1)C(=NC(=S)N2C3=CC=CC(=C3)C(=O)O)NC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O2S/c25-18(26)15-8-7-11-17(14-15)24-20(27)23-19(21(24)12-5-2-6-13-21)22-16-9-3-1-4-10-16/h1,3-4,7-11,14H,2,5-6,12-13H2,(H,25,26)(H,22,23,27)