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

Systemtic Name: 2-[4-chloranyl-1-oxidanylidene-7-[(phenylmethyl)carbamoylamino]isochromen-3-yl]oxyethyl carbamimidothioate Openeye Name: 1-benzyl-3-[3-(2-carbamimidoylsulfanylethoxy)-4-chloro-1-oxo-isochromen-7-yl]urea CAS Name: carbamimidothioic acid 2-[[4-chloro-1-oxo-7-[[oxo-[(phenylmethyl)amino]methyl]amino]-2-benzopyran-3-yl]oxy]ethyl ester IUPAC Name: 2-[7-(benzylcarbamoylamino)-4-chloro-1-oxoisochromen-3-yl]oxyethyl carbamimidothioate Traditional Name: 1-[3-[2-(amidinothio)ethoxy]-4-chloro-1-keto-isochromen-7-yl]-3-benzyl-urea Formula: C20H19ClN4O4S MolecularWeight: 446.90726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NC2=CC3=C(C=C2)C(=C(OC3=O)OCCSC(=N)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NC2=CC3=C(C=C2)C(=C(OC3=O)OCCSC(=N)N)Cl

InChI

InChI=1S/C20H19ClN4O4S/c21-16-14-7-6-13(25-20(27)24-11-12-4-2-1-3-5-12)10-15(14)17(26)29-18(16)28-8-9-30-19(22)23/h1-7,10H,8-9,11H2,(H3,22,23)(H2,24,25,27)