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

Systemtic Name: 2-[4-chloranyl-7-[(diphenylmethyl)carbamoylamino]-1-oxidanylidene-isochromen-3-yl]oxyethyl carbamimidothioate Openeye Name: 1-benzhydryl-3-[3-(2-carbamimidoylsulfanylethoxy)-4-chloro-1-oxo-isochromen-7-yl]urea CAS Name: carbamimidothioic acid 2-[[4-chloro-7-[[[(diphenylmethyl)amino]-oxomethyl]amino]-1-oxo-2-benzopyran-3-yl]oxy]ethyl ester IUPAC Name: 2-[7-(benzhydrylcarbamoylamino)-4-chloro-1-oxoisochromen-3-yl]oxyethyl carbamimidothioate Traditional Name: 1-[3-[2-(amidinothio)ethoxy]-4-chloro-1-keto-isochromen-7-yl]-3-benzhydryl-urea Formula: C26H23ClN4O4S MolecularWeight: 523.00322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)NC3=CC4=C(C=C3)C(=C(OC4=O)OCCSC(=N)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)NC3=CC4=C(C=C3)C(=C(OC4=O)OCCSC(=N)N)Cl

InChI

InChI=1S/C26H23ClN4O4S/c27-21-19-12-11-18(15-20(19)23(32)35-24(21)34-13-14-36-25(28)29)30-26(33)31-22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-12,15,22H,13-14H2,(H3,28,29)(H2,30,31,33)