[4-[(Z)-N-[2-(1-ethylbenzimidazol-2-yl)sulfanylethanoylamino]-C-methyl-carbonimidoyl]phenyl] ethanoate

Systemtic Name: [4-[(Z)-N-[2-(1-ethylbenzimidazol-2-yl)sulfanylethanoylamino]-C-methyl-carbonimidoyl]phenyl] ethanoate Openeye Name: [4-[(Z)-N-[[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]amino]-C-methyl-carbonimidoyl]phenyl] acetate CAS Name: acetic acid [4-[(1Z)-1-[[2-[(1-ethyl-2-benzimidazolyl)thio]-1-oxoethyl]hydrazinylidene]ethyl]phenyl] ester IUPAC Name: [4-[(Z)-N-[[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate Traditional Name: acetic acid [4-[(Z)-N-[[2-[(1-ethylbenzimidazol-2-yl)thio]acetyl]amino]-C-methyl-carbonimidoyl]phenyl] ester Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SCC(=O)NN=C(C)C3=CC=C(C=C3)OC(=O)C

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SCC(=O)N/N=C(/C)\C3=CC=C(C=C3)OC(=O)C

InChI

InChI=1S/C21H22N4O3S/c1-4-25-19-8-6-5-7-18(19)22-21(25)29-13-20(27)24-23-14(2)16-9-11-17(12-10-16)28-15(3)26/h5-12H,4,13H2,1-3H3,(H,24,27)/b23-14-