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

Systemtic Name: 2-[4-chloranyl-1-oxidanylidene-7-(phenylcarbamoylamino)isochromen-3-yl]oxyethyl carbamimidothioate Openeye Name: 1-[3-(2-carbamimidoylsulfanylethoxy)-4-chloro-1-oxo-isochromen-7-yl]-3-phenyl-urea CAS Name: carbamimidothioic acid 2-[[7-[[anilino(oxo)methyl]amino]-4-chloro-1-oxo-2-benzopyran-3-yl]oxy]ethyl ester IUPAC Name: 2-[4-chloro-1-oxo-7-(phenylcarbamoylamino)isochromen-3-yl]oxyethyl carbamimidothioate Traditional Name: 1-[3-[2-(amidinothio)ethoxy]-4-chloro-1-keto-isochromen-7-yl]-3-phenyl-urea Formula: C19H17ClN4O4S MolecularWeight: 432.88068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN4O4S/c20-15-13-7-6-12(24-19(26)23-11-4-2-1-3-5-11)10-14(13)16(25)28-17(15)27-8-9-29-18(21)22/h1-7,10H,8-9H2,(H3,21,22)(H2,23,24,26)