ethyl 4-[(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate

Systemtic Name: ethyl 4-[(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate Openeye Name: ethyl 4-[(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate CAS Name: 4-[[[5-(hexylthio)-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate Traditional Name: 4-[[5-(hexylthio)-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid ethyl ester Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCCCCSC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C18H23N3O3S2/c1-3-5-6-7-12-25-18-21-20-17(26-18)19-15(22)13-8-10-14(11-9-13)16(23)24-4-2/h8-11H,3-7,12H2,1-2H3,(H,19,20,22)