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

Systemtic Name: [3-[(3-methylsulfanylphenyl)carbamoylamino]-2-oxidanyl-chromen-4-ylidene]-propyl-azanium Openeye Name: [2-hydroxy-3-[(3-methylsulfanylphenyl)carbamoylamino]chromen-4-ylidene]-propyl-ammonium CAS Name: [2-hydroxy-3-[[[3-(methylthio)anilino]-oxomethyl]amino]-1-benzopyran-4-ylidene]-propylammonium IUPAC Name: [2-hydroxy-3-[(3-methylsulfanylphenyl)carbamoylamino]chromen-4-ylidene]-propylazanium Traditional Name: [2-hydroxy-3-[[3-(methylthio)phenyl]carbamoylamino]chromen-4-ylidene]-propyl-ammonium Formula: C20H22N3O3S+ MolecularWeight: 384.47198

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]=C1C2=CC=CC=C2OC(=C1NC(=O)NC3=CC(=CC=C3)SC)O

Isomeric SMILES

CCC[NH+]=C1C2=CC=CC=C2OC(=C1NC(=O)NC3=CC(=CC=C3)SC)O

InChI

InChI=1S/C20H21N3O3S/c1-3-11-21-17-15-9-4-5-10-16(15)26-19(24)18(17)23-20(25)22-13-7-6-8-14(12-13)27-2/h4-10,12,24H,3,11H2,1-2H3,(H2,22,23,25)/p+1