2-[2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoylamino]-3-methyl-benzoate

Systemtic Name: 2-[2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoylamino]-3-methyl-benzoate Openeye Name: 2-[[2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-3-methyl-benzoate CAS Name: 2-[[2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]amino]-3-methylbenzoate IUPAC Name: 2-[[2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-3-methylbenzoate Traditional Name: 2-[[2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]acetyl]amino]-3-methyl-benzoate Formula: C18H21N4O3S2- MolecularWeight: 405.51434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NC(=O)CSC2=NN=C(S2)NC3CCCCC3)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1NC(=O)CSC2=NN=C(S2)NC3CCCCC3)C(=O)[O-]

InChI

InChI=1S/C18H22N4O3S2/c1-11-6-5-9-13(16(24)25)15(11)20-14(23)10-26-18-22-21-17(27-18)19-12-7-3-2-4-8-12/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,19,21)(H,20,23)(H,24,25)/p-1