[4-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]phenyl] thiocyanate

Systemtic Name: [4-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]phenyl] thiocyanate Openeye Name: [4-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]phenyl] ester IUPAC Name: [4-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]acetyl]amino]phenyl] ester Formula: C18H16N4O2S2 MolecularWeight: 384.47524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC=C(C=C3)SC#N

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC=C(C=C3)SC#N

InChI

InChI=1S/C18H16N4O2S2/c1-2-24-13-5-8-15-16(9-13)22-18(21-15)25-10-17(23)20-12-3-6-14(7-4-12)26-11-19/h3-9H,2,10H2,1H3,(H,20,23)(H,21,22)