4-[1-[(3-methylphenyl)amino]-3-sulfanylidene-2,4-diazaspiro[4.5]dec-1-en-4-yl]benzoate

Systemtic Name: 4-[1-[(3-methylphenyl)amino]-3-sulfanylidene-2,4-diazaspiro[4.5]dec-1-en-4-yl]benzoate Openeye Name: 4-[1-(3-methylanilino)-3-thioxo-2,4-diazaspiro[4.5]dec-1-en-4-yl]benzoate CAS Name: 4-[1-(3-methylanilino)-3-sulfanylidene-2,4-diazaspiro[4.5]dec-1-en-4-yl]benzoate IUPAC Name: 4-[1-(3-methylanilino)-3-sulfanylidene-2,4-diazaspiro[4.5]dec-1-en-4-yl]benzoate Traditional Name: 4-[1-(m-toluidino)-3-thioxo-2,4-diazaspiro[4.5]dec-1-en-4-yl]benzoate Formula: C22H22N3O2S- MolecularWeight: 392.49398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=S)N(C23CCCCC3)C4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=S)N(C23CCCCC3)C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C22H23N3O2S/c1-15-6-5-7-17(14-15)23-20-22(12-3-2-4-13-22)25(21(28)24-20)18-10-8-16(9-11-18)19(26)27/h5-11,14H,2-4,12-13H2,1H3,(H,26,27)(H,23,24,28)/p-1