2-[4-chloranyl-7-(naphthalen-1-ylcarbamoylamino)-1-oxidanylidene-isochromen-3-yl]oxyethyl carbamimidothioate

Systemtic Name: 2-[4-chloranyl-7-(naphthalen-1-ylcarbamoylamino)-1-oxidanylidene-isochromen-3-yl]oxyethyl carbamimidothioate Openeye Name: 1-[3-(2-carbamimidoylsulfanylethoxy)-4-chloro-1-oxo-isochromen-7-yl]-3-(1-naphthyl)urea CAS Name: carbamimidothioic acid 2-[[4-chloro-7-[[(1-naphthalenylamino)-oxomethyl]amino]-1-oxo-2-benzopyran-3-yl]oxy]ethyl ester IUPAC Name: 2-[4-chloro-7-(naphthalen-1-ylcarbamoylamino)-1-oxoisochromen-3-yl]oxyethyl carbamimidothioate Traditional Name: 1-[3-[2-(amidinothio)ethoxy]-4-chloro-1-keto-isochromen-7-yl]-3-(1-naphthyl)urea Formula: C23H19ClN4O4S MolecularWeight: 482.93936

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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(=N)N)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=O)NC3=CC4=C(C=C3)C(=C(OC4=O)OCCSC(=N)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)