3-(7-acetamido-4-chloranyl-1-oxidanylidene-isochromen-3-yl)oxypropyl carbamimidothioate

Systemtic Name: 3-(7-acetamido-4-chloranyl-1-oxidanylidene-isochromen-3-yl)oxypropyl carbamimidothioate Openeye Name: N-[3-(3-carbamimidoylsulfanylpropoxy)-4-chloro-1-oxo-isochromen-7-yl]acetamide CAS Name: carbamimidothioic acid 3-[(7-acetamido-4-chloro-1-oxo-2-benzopyran-3-yl)oxy]propyl ester IUPAC Name: 3-(7-acetamido-4-chloro-1-oxoisochromen-3-yl)oxypropyl carbamimidothioate Traditional Name: N-[3-[3-(amidinothio)propoxy]-4-chloro-1-keto-isochromen-7-yl]acetamide Formula: C15H16ClN3O4S MolecularWeight: 369.82324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClN3O4S/c1-8(20)19-9-3-4-10-11(7-9)13(21)23-14(12(10)16)22-5-2-6-24-15(17)18/h3-4,7H,2,5-6H2,1H3,(H3,17,18)(H,19,20)