[4-(4-methoxybutoxymethyl)-6-phenyl-7-piperidin-1-yl-5-(1,3,4-thiadiazol-2-yl)benzotriazol-1-yl] benzoate

Systemtic Name: [4-(4-methoxybutoxymethyl)-6-phenyl-7-piperidin-1-yl-5-(1,3,4-thiadiazol-2-yl)benzotriazol-1-yl] benzoate Openeye Name: [4-(4-methoxybutoxymethyl)-6-phenyl-7-(1-piperidyl)-5-(1,3,4-thiadiazol-2-yl)benzotriazol-1-yl] benzoate CAS Name: benzoic acid [4-(4-methoxybutoxymethyl)-6-phenyl-7-(1-piperidinyl)-5-(1,3,4-thiadiazol-2-yl)-1-benzotriazolyl] ester IUPAC Name: [4-(4-methoxybutoxymethyl)-6-phenyl-7-piperidin-1-yl-5-(1,3,4-thiadiazol-2-yl)benzotriazol-1-yl] benzoate Traditional Name: benzoic acid [4-(4-methoxybutoxymethyl)-6-phenyl-7-piperidino-5-(1,3,4-thiadiazol-2-yl)benzotriazol-1-yl] ester Formula: C32H34N6O4S MolecularWeight: 598.71516

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCOCC1=C2C(=C(C(=C1C3=NN=CS3)C4=CC=CC=C4)N5CCCCC5)N(N=N2)OC(=O)C6=CC=CC=C6

Isomeric SMILES

COCCCCOCC1=C2C(=C(C(=C1C3=NN=CS3)C4=CC=CC=C4)N5CCCCC5)N(N=N2)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C32H34N6O4S/c1-40-19-11-12-20-41-21-25-27(31-35-33-22-43-31)26(23-13-5-2-6-14-23)29(37-17-9-4-10-18-37)30-28(25)34-36-38(30)42-32(39)24-15-7-3-8-16-24/h2-3,5-8,13-16,22H,4,9-12,17-21H2,1H3