cyclopentyl-[3-[(3-methylsulfanylphenyl)carbamoylamino]-2-oxidanyl-chromen-4-ylidene]azanium

Systemtic Name: cyclopentyl-[3-[(3-methylsulfanylphenyl)carbamoylamino]-2-oxidanyl-chromen-4-ylidene]azanium Openeye Name: cyclopentyl-[2-hydroxy-3-[(3-methylsulfanylphenyl)carbamoylamino]chromen-4-ylidene]ammonium CAS Name: cyclopentyl-[2-hydroxy-3-[[[3-(methylthio)anilino]-oxomethyl]amino]-1-benzopyran-4-ylidene]ammonium IUPAC Name: cyclopentyl-[2-hydroxy-3-[(3-methylsulfanylphenyl)carbamoylamino]chromen-4-ylidene]azanium Traditional Name: cyclopentyl-[2-hydroxy-3-[[3-(methylthio)phenyl]carbamoylamino]chromen-4-ylidene]ammonium Formula: C22H24N3O3S+ MolecularWeight: 410.50926

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)NC2=C(OC3=CC=CC=C3C2=[NH+]C4CCCC4)O

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)NC2=C(OC3=CC=CC=C3C2=[NH+]C4CCCC4)O

InChI

InChI=1S/C22H23N3O3S/c1-29-16-10-6-9-15(13-16)24-22(27)25-20-19(23-14-7-2-3-8-14)17-11-4-5-12-18(17)28-21(20)26/h4-6,9-14,26H,2-3,7-8H2,1H3,(H2,24,25,27)/p+1