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

Systemtic Name: 2-[4-chloranyl-1-oxidanylidene-7-(propan-2-ylcarbamoylamino)isochromen-3-yl]oxyethyl carbamimidothioate Openeye Name: 1-[3-(2-carbamimidoylsulfanylethoxy)-4-chloro-1-oxo-isochromen-7-yl]-3-isopropyl-urea CAS Name: carbamimidothioic acid 2-[[4-chloro-1-oxo-7-[[oxo-(propan-2-ylamino)methyl]amino]-2-benzopyran-3-yl]oxy]ethyl ester IUPAC Name: 2-[4-chloro-1-oxo-7-(propan-2-ylcarbamoylamino)isochromen-3-yl]oxyethyl carbamimidothioate Traditional Name: 1-[3-[2-(amidinothio)ethoxy]-4-chloro-1-keto-isochromen-7-yl]-3-isopropyl-urea Formula: C16H19ClN4O4S MolecularWeight: 398.86446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CC2=C(C=C1)C(=C(OC2=O)OCCSC(=N)N)Cl

Isomeric SMILES

CC(C)NC(=O)NC1=CC2=C(C=C1)C(=C(OC2=O)OCCSC(=N)N)Cl

InChI

InChI=1S/C16H19ClN4O4S/c1-8(2)20-16(23)21-9-3-4-10-11(7-9)13(22)25-14(12(10)17)24-5-6-26-15(18)19/h3-4,7-8H,5-6H2,1-2H3,(H3,18,19)(H2,20,21,23)