[azanyl-[2-[4-chloranyl-7-(naphthalen-1-ylcarbamoylamino)-1-oxidanylidene-isochromen-3-yl]oxyethylsulfanyl]methylidene]azanium

Systemtic Name: [azanyl-[2-[4-chloranyl-7-(naphthalen-1-ylcarbamoylamino)-1-oxidanylidene-isochromen-3-yl]oxyethylsulfanyl]methylidene]azanium Openeye Name: [amino-[2-[4-chloro-7-(1-naphthylcarbamoylamino)-1-oxo-isochromen-3-yl]oxyethylsulfanyl]methylene]ammonium CAS Name: [amino-[2-[[4-chloro-7-[[(1-naphthalenylamino)-oxomethyl]amino]-1-oxo-2-benzopyran-3-yl]oxy]ethylthio]methylidene]ammonium IUPAC Name: [amino-[2-[4-chloro-7-(naphthalen-1-ylcarbamoylamino)-1-oxoisochromen-3-yl]oxyethylsulfanyl]methylidene]azanium Traditional Name: [amino-[2-[4-chloro-1-keto-7-(1-naphthylcarbamoylamino)isochromen-3-yl]oxyethylthio]methylene]ammonium Formula: C23H20ClN4O4S+ MolecularWeight: 483.9473

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC(=O)NC3=CC4=C(C=C3)C(=C(OC4=O)OCCSC(=[NH2+])N)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=O)NC3=CC4=C(C=C3)C(=C(OC4=O)OCCSC(=[NH2+])N)Cl

InChI

InChI=1S/C23H19ClN4O4S/c24-19-16-9-8-14(12-17(16)20(29)32-21(19)31-10-11-33-22(25)26)27-23(30)28-18-7-3-5-13-4-1-2-6-15(13)18/h1-9,12H,10-11H2,(H3,25,26)(H2,27,28,30)/p+1