4-[5-[(5-methoxy-1,3-benzoxazol-2-yl)sulfanyl]pentoxy]benzenecarboximidamide

Systemtic Name: 4-[5-[(5-methoxy-1,3-benzoxazol-2-yl)sulfanyl]pentoxy]benzenecarboximidamide Openeye Name: 4-[5-[(5-methoxy-1,3-benzoxazol-2-yl)sulfanyl]pentoxy]benzamidine CAS Name: 4-[5-[(5-methoxy-1,3-benzoxazol-2-yl)thio]pentoxy]benzenecarboximidamide IUPAC Name: 4-[5-[(5-methoxy-1,3-benzoxazol-2-yl)sulfanyl]pentoxy]benzenecarboximidamide Traditional Name: 4-[5-[(5-methoxy-1,3-benzoxazol-2-yl)thio]pentoxy]benzamidine Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=N2)SCCCCCOC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=N2)SCCCCCOC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H23N3O3S/c1-24-16-9-10-18-17(13-16)23-20(26-18)27-12-4-2-3-11-25-15-7-5-14(6-8-15)19(21)22/h5-10,13H,2-4,11-12H2,1H3,(H3,21,22)