[4-[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoylamino]phenyl] thiocyanate

Systemtic Name: [4-[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoylamino]phenyl] thiocyanate Openeye Name: [4-[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[3-[(6-methyl-1H-benzimidazol-2-yl)thio]-1-oxopropyl]amino]phenyl] ester IUPAC Name: [4-[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoylamino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[3-[(6-methyl-1H-benzimidazol-2-yl)thio]propanoylamino]phenyl] ester Formula: C18H16N4OS2 MolecularWeight: 368.47584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCCC(=O)NC3=CC=C(C=C3)SC#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCCC(=O)NC3=CC=C(C=C3)SC#N

InChI

InChI=1S/C18H16N4OS2/c1-12-2-7-15-16(10-12)22-18(21-15)24-9-8-17(23)20-13-3-5-14(6-4-13)25-11-19/h2-7,10H,8-9H2,1H3,(H,20,23)(H,21,22)